SCHEMBL4282818

SCHEMBL4282818

CCCc1cc(O)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.46
ESR1 P03372 6/20 0.44
ESR2 Q92731 6/20 0.44
HSD17B3 P37058 1/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 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
SCHEMBL5377496 0.88 TYR (0.61) TYRESR1ESR2CYP3A4TSHR
SCHEMBL10785344 0.86 ALOX5 (0.61) TYRESR1CYP3A4TSHRMEN1
SCHEMBL11705214 0.85 ALOX5 (0.64) TYRESR1CYP3A4TSHRMEN1
SCHEMBL10067858 0.85 ALOX5 (0.64) TYRESR1CYP3A4TSHRMEN1
SCHEMBL5372070 0.83 TYR (0.50) TYRESR1ESR2HSD17B3CYP3A4
SCHEMBL561622 0.83 MAPT (0.47) TYRESR1ESR2HSD17B3CYP3A4
SCHEMBL5898768 0.81 HTR2C (0.46) TYRESR2CYP3A4TSHRMEN1
Hydrochloric Acid SCHEMBL4652273 0.81 ALDH1A1 (0.46) TYRESR1ESR2HSD17B3CYP3A4
SCHEMBL10825810 0.80 TYR (0.55) TYRESR1ESR2HSD17B3CYP3A4
SCHEMBL31613067 0.80 TYR (0.55) TYRESR1ESR2HSD17B3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920855-B1 Hair dye compositions containing 3-alkyl-4-aminophenol and 2-substituted 1-naphthol P & G CLAIROL INC (US) 2004-01-21 EP claimed
US-5961666-A Hair dye compositions containing 3-substituted-4-aminophenols and 2-substituted-1-naphthols NOXELL CORPORATION 1999-10-05 US claimed
EP-0920855-A1 Hair dye compositions containing 3-alkyl-4-aminophenol and 2-substituted 1-naphthol Bristol-Myers Squibb Company (US) 1999-06-09 EP claimed
CN-103491937-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and 2-aminophenol and derivatives thereof PROCTER & GAMBLE 2014-01-01 CN disclosed
EP-1910269-B1 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LAB PVT LTD (IN) 2013-09-18 EP disclosed
US-8227390-B2 Binder resin for friction material, binder resin composition for friction material, composite material for friction material containing the same, friction material and production method thereof AKEBONO BRAKE INDUSTRY CO., LTD. (JP) 2012-07-24 US disclosed
US-7608740-B2 Method of synthesizing key intermediates for the production of camptothecin derivatives Avra Laboratories Pvt. Ltd (IN) 2009-10-27 US disclosed
US-20090137434-A1 BINDER RESIN FOR FRICTION MATERIAL, BINDER RESIN COMPOSITION FOR FRICTION MATERIAL, COMPOSITE MATERIAL FOR FRICTION MATERIAL CONTAINING THE SAME, FRICTION MATERIAL AND PRODUCTION METHOD THEREOF AKEBONO BRAKE INDUSTRY CO., LTD (JP) 2009-05-28 US disclosed
US-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives AVRA LABORATORIES PVT. LTD. (IN) 2008-09-11 US disclosed
EP-1910269-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES Avra Laboratories PVT. Ltd. (IN) 2008-04-16 EP disclosed
US-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
WO-2007015259-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LABORATORIES PVT. LTD. (IN) 2007-02-08 WO disclosed
CN-1234706-C Nitrogen-oxygen heterocyclic compound and preparation method thereof CHANGCHUN ARTIFICIAL RESIN FAC (CN) 2006-01-04 CN disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
CN-1490318-A Nitrogen-oxygen heterocyclic compound and preparation method thereof 长春人造树脂厂股份有限公司 2004-04-21 CN disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 US disclosed
EP-0920855-B1 Hair dye compositions containing 3-alkyl-4-aminophenol and 2-substituted 1-naphthol P & G CLAIROL INC (US) 2004-01-21 EP disclosed
US-5961666-A Hair dye compositions containing 3-substituted-4-aminophenols and 2-substituted-1-naphthols NOXELL CORPORATION 1999-10-05 US disclosed
EP-0920855-A1 Hair dye compositions containing 3-alkyl-4-aminophenol and 2-substituted 1-naphthol Bristol-Myers Squibb Company (US) 1999-06-09 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 (3 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TYR 485/4885ESR1 872/4885ESR2 1941/4885
US-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives DHPS, TOP2A, HCCS TYR 1939/4885ESR1 4250/4885ESR2 3610/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TYR 314/4885ESR1 686/4885ESR2 1691/4885

“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.