SCHEMBL491121

SCHEMBL491121

CC(CCCCCCCCCCCCCCCCOCCO)OC(C)CCCCCCCCCCCCCCCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.32
SPHK1 Q9NYA1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Triethylene Glycol SCHEMBL25256580 0.86 MEN1 (0.62) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL25300993 0.86 MEN1 (0.62) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL2266294 0.86 TSHR (0.56) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL2264264 0.84 MEN1 (0.59) MEN1KMT2ATHRBHTTMAPT
Tetraethylene Glycol SCHEMBL2263658 0.84 MEN1 (0.59) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL9769502 0.83 TSHR (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2244270 0.83 MEN1 (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL3392777 0.83 MEN1 (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1176801 0.83 MEN1 (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1034519 0.83 MEN1 (0.56) MEN1KMT2ATHRBHTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110121-B2 Compositions comprising hydrogen peroxide or hydrogen peroxide donor substances CLARIANT INTERNATIONAL LTD. (CH) 2021-09-07 US disclosed
US-10888719-B2 Active substance combination of creatine and/or creatinine and phenoxyethanol BEIERSDORF AG (DE) 2021-01-12 US disclosed
WO-2020216641-A1 A HAIR WAX COMPOSITION BEIERSDORF AG (DE) 2020-10-29 WO disclosed
US-10682534-B2 Cosmetic preparations containing creatine and/or creatinine and organic thickeners BEIERSDORF, AG (DE) 2020-06-16 US disclosed
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group CLARIANT INTERNATIONAL LTD. (CH) 2019-09-10 US disclosed
US-9834635-B2 Polymers based on arcrylic, methacrylic or ethacrylic amidoalkyl sulfonic acid or salts and carboxyalky acrylate, methacrylate or ethacrylate or oligomers of said carboxy compounds CLARIANT INTERNATIONAL LTD. (CH) 2017-12-05 US disclosed
US-9693973-B2 Active substance combination of licochalcone A and phenoxyethanol BEIERSDORF AG (DE) 2017-07-04 US disclosed
US-9655824-B2 Use of diphenylmethane derivatives as tyrosinase inhibitors SYMRISE AG (DE) 2017-05-23 US disclosed
US-9526687-B2 Polymers based on sulfonic acids, amides and special cross-linking agents CLARIANT INTERNATIONAL LTD. (CH) 2016-12-27 US disclosed
US-9295626-B2 Compositions comprising isosorbide monoester and N-hydroxypyridones CLARIANT INTERNATIONAL LTD. (CH) 2016-03-29 US disclosed
US-20040037797-A1 Water-in-oil emulsions containing one or more ammonium acryloylodimethyltaurate/vinylpyrrolidone copolymers BEIERSDORF AG 2004-02-26 US disclosed
US-6620420-B2 Cosmetic or dermatological application BEIERSDORF AG (DE) 2003-09-16 US disclosed
US-20030147928-A1 Water, oil in water emulsifiers, optionally coemulsifiers, oil phase(s), polidocanol and an essential oil; saturated cloth; immediate and long-lasting effect BEIERSDORF AG 2003-08-07 US disclosed
US-20030091605-A1 Use of alpha-lipoic acid for producing cosmetic or dermatological preparations for regenerating stressed skin, in particular aged skin BEIERSDORF AG 2003-05-15 US disclosed
US-20030012801-A1 Active ingredient combinations of surface-active citric esters and inclusion compounds of cyclodextrins and retinoids, and cosmetic and dermatological preparations containing such mixtures BEIERSDORF AG 2003-01-16 US disclosed
US-20020176832-A1 O/W emulsions containing one or more ammonium acryloyldimethyltaurate/vinylpyrrolidone copolymers CLARIANT INTERNATIONAL LTD. (CH) 2002-11-28 US disclosed
US-20020155076-A1 Gel creams in the form of O/W emulsions containing one or more ammonium acryloyldimethyltaurate/vinylpyrrolidone copolymers CLARIANT INTERNATIONAL LTD. (CH) 2002-10-24 US disclosed
US-20020119114-A1 Active ingredient combinations of surface-active citric esters and alpha-lipoic acid, and cosmetic and dermatological preparations containing such mixtures BEIERSDORF AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-6436414-B1 Active ingredient combinations or adducts of biotin and/or biotin derivatives and cyclodextrins and use of such active ingredient combinations in cosmetic preparations BEIERSDORF AG (DE) 2002-08-20 US disclosed
US-20020045596-A1 Active ingredient combinations or adducts of cyclodextrins and at least one quinone and/or at least one hydroquinone and use of such active ingredient combinations in cosmetic preparations BEIERSDORF AG (DE) 2002-04-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020045596-A1 Active ingredient combinations or adducts of cyclodextrins and at least one quinone and/or at least one hydroquinone and use of such active ingredient combinations in cosmetic preparations NQO1, RECQL, KEAP1 MEN1 2565/4885KMT2A 3530/4885THRB 4718/4885
US-10888719-B2 Active substance combination of creatine and/or creatinine and phenoxyethanol REN, CKMT1A; CKMT1B, CRAT MEN1 4090/4885KMT2A 951/4885THRB 2281/4885
US-11110121-B2 Compositions comprising hydrogen peroxide or hydrogen peroxide donor substances GPX4, LPO, CAT MEN1 3224/4885KMT2A 4648/4885THRB 2791/4885
US-20030012801-A1 Active ingredient combinations of surface-active citric esters and inclusion compounds of cyclodextrins and retinoids, and cosmetic and dermatological preparations containing such mixtures ALDH1A2, GAA, GCDH MEN1 3273/4885KMT2A 4662/4885THRB 3309/4885
US-20020176832-A1 O/W emulsions containing one or more ammonium acryloyldimethyltaurate/vinylpyrrolidone copolymers AGPAT2, PHOSPHO1, MBOAT1 MEN1 4169/4885KMT2A 743/4885THRB 4712/4885
US-20020155076-A1 Gel creams in the form of O/W emulsions containing one or more ammonium acryloyldimethyltaurate/vinylpyrrolidone copolymers AGPAT2, ACMSD, POLR1C MEN1 4477/4885KMT2A 1076/4885THRB 3979/4885
US-20020119114-A1 Active ingredient combinations of surface-active citric esters and alpha-lipoic acid, and cosmetic and dermatological preparations containing such mixtures LIPA, GLA, DEGS1 MEN1 1433/4885KMT2A 2016/4885THRB 2531/4885
US-20030091605-A1 Use of alpha-lipoic acid for producing cosmetic or dermatological preparations for regenerating stressed skin, in particular aged skin CUTA, LIPA, LPO MEN1 4447/4885KMT2A 4069/4885THRB 1573/4885
US-10682534-B2 Cosmetic preparations containing creatine and/or creatinine and organic thickeners CKMT1A; CKMT1B, OTC, CRAT MEN1 3729/4885KMT2A 1333/4885THRB 3985/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C MEN1 3537/4885KMT2A 4657/4885THRB 941/4885
US-20030147928-A1 Water, oil in water emulsifiers, optionally coemulsifiers, oil phase(s), polidocanol and an essential oil; saturated cloth; immediate and long-lasting effect POLD1, POLD3, POLI MEN1 4540/4885KMT2A 1719/4885THRB 3807/4885
US-20040037797-A1 Water-in-oil emulsions containing one or more ammonium acryloylodimethyltaurate/vinylpyrrolidone copolymers PHOSPHO1, AGPAT2, AGPAT5 MEN1 3181/4885KMT2A 1398/4885THRB 4419/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.