SCHEMBL5712480

SCHEMBL5712480

Nc1cccc(O)c1-c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
CYP2A6 P11509 3/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2E1 P05181 1/20 0.42
TMIGD3 P0DMS9 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
IKBKB O14920 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
ERN1 O75460 1/20 0.38
MAOA P21397 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TDO2 P48775 1/20 0.36

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 SCHEMBL5712457 0.98 KCNH2 (0.43) KCNH2CYP2A6CYP2B6CYP2E1TMIGD3
SCHEMBL7587853 0.86 KCNH2 (0.52) KCNH2CYP2A6CYP2B6CYP2E1ADORA2A
SCHEMBL1381708 0.76 KCNH2 (0.47) KCNH2CYP2A6CYP2B6CYP2E1TMIGD3
SCHEMBL2936687 0.75 ALOX15 (0.54) CYP2B6ALOX15TSHRALDH1A1MAPT
SCHEMBL2931362 0.74 ALOX15 (0.43) ALOX15TSHRMAPTLMNACSNK2A2
SCHEMBL6288456 0.74 KCNH2 (0.46) KCNH2CYP2A6CYP2B6CYP2E1TMIGD3
SCHEMBL5712465 0.74 ALOX15 (0.39) ALOX15TSHRALDH1A1MAPTMAOA
SCHEMBL2938543 0.74 ALOX15 (0.57) ADORA2AALOX15TSHRALDH1A1MAPT
SCHEMBL2939962 0.74 ALOX15 (0.57) ALOX15TSHRALDH1A1MAPTMAOA
SCHEMBL2935347 0.74 ALOX15 (0.46) ALOX15TSHRALDH1A1MAPTMEN1

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 KCNH2 1000/4885CYP2A6 1364/4885CYP2B6 1256/4885

“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.