SCHEMBL5712445

SCHEMBL5712445

Nc1cccc(O)c1-c1ccc(-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.50
HSD17B2 P37059 5/20 0.50
NQO2 P16083 2/20 0.46
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
APP P05067 3/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
IKBKB O14920 1/20 0.40
CYP1A2 P05177 1/20 0.40
BTK Q06187 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40

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 SCHEMBL5712472 0.98 HSD17B1 (0.49) HSD17B1HSD17B2NQO2ALOX15TSHR
SCHEMBL5712508 0.81 ALOX15 (0.41) HSD17B1HSD17B2ALOX15TSHRAPP
SCHEMBL2936687 0.81 ALOX15 (0.54) HSD17B1HSD17B2ALOX15TSHRCYP3A4
Hydrochloric Acid SCHEMBL2939412 0.79 ALOX15 (0.52) HSD17B1HSD17B2ALOX15TSHRCYP3A4
SCHEMBL5712450 0.79 HSD17B1 (0.44) HSD17B1HSD17B2ALOX15TSHRCYP2A6
SCHEMBL5712470 0.79 ALDH1A1 (0.41) ALOX15TSHRCYP3A4MEN1KMT2A
SCHEMBL2939749 0.77 HSD17B10 (0.53) HSD17B1HSD17B2ALOX15TSHRCYP3A4
SCHEMBL5712443 0.75 HSD17B1 (0.47) HSD17B1HSD17B2ALOX15TSHRCYP3A4
SCHEMBL5712448 0.75 DPP4 (0.42) ALOX15TSHRAPPCYP3A4CYP2C9
SCHEMBL2931722 0.74 ALOX15 (0.55) HSD17B1HSD17B2ALOX15TSHRAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
US-7132001-B2 3-aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AG (DE) 2006-11-07 US claimed
EP-1495015-B1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AG (DE) 2006-04-12 EP claimed
CN-1646518-A 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2005-07-27 CN claimed
EP-1495015-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS Wella Aktiengesellschaft (DE) 2005-01-12 EP claimed
US-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2004-11-25 US claimed
WO-2003087084-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN disclosed
US-7132001-B2 3-aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AG (DE) 2006-11-07 US disclosed
EP-1495015-B1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AG (DE) 2006-04-12 EP disclosed
CN-1646518-A 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2005-07-27 CN disclosed
EP-1495015-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2004-11-25 US disclosed
WO-2003087084-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO 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 (1 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-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers KRT18, JUP, IK HSD17B1 2716/4885HSD17B2 3138/4885NQO2 1512/4885

“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.