SCHEMBL2140576

SCHEMBL2140576

Cc1ccc(N=Nc2c(C(=O)O)ccc3ccccc23)c(S(=O)(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ CYP1A2 P05177 4/20 0.56
▸ PHLPP2 Q6ZVD8 1/20 0.49
▸ MPL P40238 5/20 0.49
▸ THRB P10828 2/20 0.49
▸ CTRC Q99895 2/20 0.48
▸ CTRB1 P17538 1/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PTPRA P18433 1/20 0.44
▸ PTPRB P23467 1/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL4618146 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL92057 0.88 ALDH1A1 (0.72) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL29932227 0.88 ALDH1A1 (0.72) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL1161501 0.88 ALDH1A1 (0.72) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL29362512 0.88 ALDH1A1 (0.72) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL1435737 0.87 ALDH1A1 (0.71) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL3184580 0.87 ALDH1A1 (0.71) ALDH1A1CYP1A2PHLPP2MPLTHRB
Calcium SCHEMBL30248603 0.87 ALDH1A1 (0.71) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL5786859 0.87 ALDH1A1 (0.71) ALDH1A1CYP1A2PHLPP2MPLTHRB
SCHEMBL1435734 0.87 ALDH1A1 (0.71) ALDH1A1CYP1A2PHLPP2MPLTHRB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593079-B1 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-16 — — EP disclosed
EP-2593077-B1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-02 — — EP disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 — — US disclosed
US-9060949-B2 Menthyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-06-23 — — US disclosed
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-06-20 — — US disclosed
US-20130129646-A1 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-05-23 — — US disclosed
EP-2593079-A2 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES Symrise AG (DE) 2013-05-22 — — EP disclosed
EP-2593077-A2 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES Symrise AG (DE) 2013-05-22 — — EP disclosed
EP-2389922-A1 Cyclohexyl carbamate compounds as anti-ageing actives Symrise AG (DE) 2011-11-30 — — EP disclosed
US-7863478-B2 1,3-Bis-[3-(4-methoxyphenyl)-2-propenoyloxy]-2-oxopropane; novel alpha-hydroxyketone derivatives as light-protection filters for cosmetic or drug products; used in cosmetic protective coatings; solar radiation; sunscreen agents; aging resistance; wrinkle resistance; food additives; dermatology MERCK PATENT GMBH (DE) 2011-01-04 — — US disclosed
WO-2010122178-A2 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE GMBH & CO. KG (DE) 2010-10-28 — — WO disclosed
WO-2010097480-A2 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE GMBH & CO. KG (DE) 2010-09-02 — — WO disclosed
US-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III HENKEL AG & CO. KGAA (DE) 2010-02-25 — — US disclosed
US-20080038213-A1 Uv Filters MERCK PATENT GMBH (DE) 2008-02-14 — — US disclosed
EP-1880007-A2 PERSONAL CARE COMPOSITIONS AND METHODS FOR THEIR USE GENENCOR INTERNATIONAL, INC. (US) 2008-01-23 — — EP disclosed
WO-2007110415-A2 USE OF DIACETYL TRIMERS AND COSMETIC OR THERAPEUTIC FORMULATIONS CONTAINING THESE COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2007-10-04 — — WO disclosed
WO-2006121610-A2 PERSONAL CARE COMPOSITIONS AND METHODS FOR THEIR USE GENENCOR INTERNATIONAL, INC. (US) 2006-11-16 — — WO disclosed
US-20060159637-A1 Surface-modified, structurally modified titanium dioxides EVONIK DEGUSSA GMBH (DE) 2006-07-20 — — 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 (5 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-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES CBR1, CYP2A13, CBR3 ALDH1A1 484/4885CYP1A2 26/4885PHLPP2 3064/4885
US-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III TYR, POLR1C, CUTA ALDH1A1 1276/4885CYP1A2 1316/4885PHLPP2 726/4885
US-20080038213-A1 Uv Filters ERCC4, ERCC1, ERCC5 ALDH1A1 334/4885CYP1A2 79/4885PHLPP2 2645/4885
US-20060159637-A1 Surface-modified, structurally modified titanium dioxides TDO2, TYR, FTO ALDH1A1 2638/4885CYP1A2 30/4885PHLPP2 3665/4885
US-20130129646-A1 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES TYR, CRAT, SUCLG1 ALDH1A1 160/4885CYP1A2 180/4885PHLPP2 3414/4885

“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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