SCHEMBL344112

SCHEMBL344112

Cc1cc(C)c(/N=N/c2ccc3c(S(=O)(=O)O)cccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.63
▸ MPL P40238 3/20 0.50
▸ CTRC Q99895 1/20 0.50
▸ CTRB1 P17538 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ ATIC P31939 2/20 0.47
▸ SUMO2 P61956 2/20 0.47
▸ SUMO1 P63165 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP2 Q9HC62 2/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ THRB P10828 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ NSD2 O96028 2/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ CASP6 P55212 1/20 0.44

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
SCHEMBL344113 1.00 CYP1A2 (0.63) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL14400279 0.88 MPL (0.55) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL29368745 0.87 THRB (0.54) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL624823 0.87 CYP1A2 (0.47) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL3453258 0.86 CYP1A2 (0.67) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL31300193 0.86 MPL (0.65) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL4419746 0.86 MPL (0.65) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL16749788 0.77 CYP1A2 (0.53) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL6654290 0.76 CTRB1 (0.82) CYP1A2MPLCTRCCTRB1ALDH1A1
SCHEMBL18218122 0.75 CYP1A2 (0.58) CYP1A2MPLCTRCCTRB1ALDH1A1

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 102 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-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-20170105910-A1 UV FILTER CAPSULE BASF SE (DE) 2017-04-20 — — US disclosed
US-9592185-B2 Compositions containing hydrogen peroxide or substances releasing hydrogen peroxide CLARIANT INTERNATIONAL LTD. (CH) 2017-03-14 — — 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-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS CLARIANT INTERNATIONAL LTD. (CH) 2016-01-07 — — US disclosed
US-20150342856-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations CLARIANT FINANCE (BVI) LIMITED (VG) 2015-12-03 — — US disclosed
US-9084734-B2 Peptide personal care compositions and methods for their use DANISCO US INC. (US) 2015-07-21 — — US disclosed
US-20060002875-A1 Diffractive colorants for cosmetics MERCK PATENT GMBH (DE) 2006-01-05 — — US disclosed
US-20050276763-A1 Emulsion concentrate containing water-soluble and oil-soluble polymers BEIERSDORF AG 2005-12-15 — — US disclosed
US-20050276764-A1 Topical use of bis-arylimidazo[1,2-a]thiolane derivatives BEIERSDORF AG 2005-12-15 — — US disclosed
US-20050244443-A1 Cosmetic concentrate BEIERSDORF AG (DE) 2005-11-03 — — US disclosed
US-20050120917-A1 Coloured microstructured effect pigments MERCK PATENT GMBH (DE) 2005-06-09 — — US disclosed
US-20050025729-A1 Lipstick BEIERSDORF AG 2005-02-03 — — US disclosed
WO-2004091567-A2 COSMETIC FORMULATIONS COMPRISING ANTIMICROBIAL PIGMENTS MERCK PATENT GMBH (DE) 2004-10-28 — — WO disclosed
US-6620420-B2 Cosmetic or dermatological application BEIERSDORF AG (DE) 2003-09-16 — — US disclosed
CN-1406576-A Oil in water low emulsifier or non-emulsifier system containing stabilizer and amiho substituted hydroxy diphenyl ketone BASF AG (DE) 2003-04-02 — — CN disclosed
US-4323554-A MICA FLAKES AND A COLORED ALUMINUM LAKE FOR COSMETICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-06 — — 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 (9 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-20050244443-A1 Cosmetic concentrate MAN1B1, MAN2A1, MITF CYP1A2 2754/4885MPL 916/4885CTRC 3744/4885
US-20050276763-A1 Emulsion concentrate containing water-soluble and oil-soluble polymers PCNA, CUTA, PCLAF CYP1A2 895/4885MPL 1664/4885CTRC 3199/4885
US-20060002875-A1 Diffractive colorants for cosmetics RARA, RARG, DSG1 CYP1A2 293/4885MPL 2129/4885CTRC 1833/4885
US-11110121-B2 Compositions comprising hydrogen peroxide or hydrogen peroxide donor substances GPX4, LPO, CAT CYP1A2 812/4885MPL 2837/4885CTRC 872/4885
US-20170105910-A1 UV FILTER CAPSULE UROD, MITF, NISCH CYP1A2 201/4885MPL 2774/4885CTRC 1453/4885
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS HSD17B12, DHCR7, ERG28 CYP1A2 140/4885MPL 3866/4885CTRC 1900/4885
US-20150342856-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations C9, PARN, SGMS1 CYP1A2 1621/4885MPL 3930/4885CTRC 1458/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C CYP1A2 42/4885MPL 4266/4885CTRC 785/4885
US-20050276764-A1 Topical use of bis-arylimidazo[1,2-a]thiolane derivatives ITCH, TRPA1, TPH1 CYP1A2 313/4885MPL 3559/4885CTRC 1639/4885

“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.

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