SCHEMBL633722

SCHEMBL633722

NCc1ccc(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ESR1 P03372 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NPY1R P25929 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRD1 P41143 1/20 0.40
MTOR P42345 1/20 0.40
HK2 P52789 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL3572840 0.97 KDM4E (0.41) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL5463172 0.80 TAAR1 (0.52) KDM4EALDH1A1MTORTHPOHSD17B10
SCHEMBL35864 0.78 HSPA5 (0.43) CYP3A4CYP2C9MEN1LMNAMAPT
SCHEMBL29368767 0.78 HSPA5 (0.43) CYP3A4CYP2C9MEN1LMNAMAPT
SCHEMBL366656 0.77 ADAMTS4 (0.52) ALDH1A1HSD17B10LMNATDP1
SCHEMBL2510833 0.76 KDM4E (0.42) ESR2KDM4EALDH1A1ESR1ADORA3
Hydrochloric Acid SCHEMBL1998632 0.75 ADAMTS4 (0.50) ALDH1A1HSD17B10LMNATDP1
Bromide SCHEMBL622788 0.75 ADAMTS4 (0.50) ALDH1A1HSD17B10LMNATDP1
SCHEMBL2910001 0.75 PNMT (0.44) OPRD1HSD17B10
SCHEMBL2475390 0.74 GABRA1 (0.56) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900781-B1 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 2002-03-20 EP claimed
US-6117365-A N-(3,4-DIHYDROXYBENZYL)-3,5-DIMETHOXY-4-HYDROXY-E-CINNAMIDE, FOR EXAMPLE; USE AS ANTIOXIDANTS OR AS FREE-RADICAL SCAVENGERS, IN PARTICULAR IN THE COSMETIC OR DERMATOLOGICAL FIELDS, AND IN FOODS HAARMANN & REIMER GMBH (DE) 2000-09-12 US claimed
EP-0900781-A2 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 1999-03-10 EP claimed
EP-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed
CN-109310649-B Dihydrochalcone derivatives affecting inflammatory states 西姆莱斯有限公司 2021-06-29 CN disclosed
CN-109310649-A Influence the dihydrochalcone derivative of inflammatory states 西姆莱斯有限公司 2019-02-05 CN disclosed
US-8961943-B2 O/W-emulsifiers, O/W-emulsions and methods of manufacture thereof SYMRISE AG (DE) 2015-02-24 US disclosed
EP-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 EP disclosed
US-8575182-B2 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) 2013-11-05 US disclosed
US-20130177510-A1 O/W-EMULSIFIERS, O/W-EMULSIONS AND METHODS OF MANUFACTURE THEREOF SYMRISE AG (DE) 2013-07-11 US disclosed
US-8454941-B2 O/W-emulsifiers, O/W-emulsions and methods of manufacture thereof SYMRISE AG (DE) 2013-06-04 US disclosed
US-20030171617-A1 3,4-Dihydroxymandelic acid alkylamides and use thereof HAARMANN & REIMER GMBH (DE) 2003-09-11 US disclosed
US-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants HAARMANN & REIMER GMBH (DE) 2003-07-24 US disclosed
US-20030072725-A1 Topical cosmetic agents containing 2-hydrazino-1,3 -heteroazoles HAARMANN & REIMER GMBH (DE) 2003-04-17 US disclosed
US-20030069307-A1 2-(3,4-Dihydroxyphenyl)ethyl-substituted carbonic acid derivatives and their use HAARMANN & REIMER GMBH (DE) 2003-04-10 US disclosed
US-20030053967-A1 Use of 3,4-dihydroxy-mandelic acid for protecting against oxidative damage caused by ultra-violet light HAARMANN & REIMER GMBH (DE) 2003-03-20 US disclosed
US-20030049287-A1 Catechol oximes and their use in cosmetic and dermatological preparations HAARMANN & REIMER GMBH (DE) 2003-03-13 US disclosed
EP-0900781-B1 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 2002-03-20 EP disclosed
US-6117365-A N-(3,4-DIHYDROXYBENZYL)-3,5-DIMETHOXY-4-HYDROXY-E-CINNAMIDE, FOR EXAMPLE; USE AS ANTIOXIDANTS OR AS FREE-RADICAL SCAVENGERS, IN PARTICULAR IN THE COSMETIC OR DERMATOLOGICAL FIELDS, AND IN FOODS HAARMANN & REIMER GMBH (DE) 2000-09-12 US disclosed
EP-0900781-A2 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 1999-03-10 EP 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-20030069307-A1 2-(3,4-Dihydroxyphenyl)ethyl-substituted carbonic acid derivatives and their use NFE2L2, AGER, ME2 ESR2 88/4885KDM4E 789/4885ALDH1A1 253/4885
US-20030171617-A1 3,4-Dihydroxymandelic acid alkylamides and use thereof HNMT, HTR2A, HTR2C ESR2 3665/4885KDM4E 1863/4885ALDH1A1 84/4885
US-20030049287-A1 Catechol oximes and their use in cosmetic and dermatological preparations TYR, LPO, COMT ESR2 1285/4885KDM4E 543/4885ALDH1A1 127/4885
US-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants TYR, HAAO, TH ESR2 1645/4885KDM4E 186/4885ALDH1A1 162/4885
US-20030072725-A1 Topical cosmetic agents containing 2-hydrazino-1,3 -heteroazoles TYR, MITF, HDAC1 ESR2 4526/4885KDM4E 2169/4885ALDH1A1 81/4885

“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.