SCHEMBL2931163

SCHEMBL2931163

Cc1ccc(-c2c(N)cccc2O)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2A6 P11509 1/20 0.41
METAP2 P50579 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PLAU P00749 1/20 0.36
PIK3CA P42336 1/20 0.34

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
SCHEMBL2938575 0.79 HSP90AA1 (0.38) CYP3A4KDM4EHSP90AA1ALOX15TSHR
SCHEMBL2934696 0.79 KDM1A (0.38) HSP90AA1ALOX15TSHRNPC1
SCHEMBL2931210 0.77 CCR1 (0.50) CCR1CCR5CCR8NOS3NOS2
SCHEMBL2934747 0.76 KIF11 (0.43) CYP3A4KDM4ETSHRALDH1A1NPC1
SCHEMBL22431434 0.75 CCR1 (0.65) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL2939550 0.74 ALOX15 (0.43) CYP3A4ALOX15TSHRALDH1A1HSD17B10
SCHEMBL4057074 0.74 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL2936630 0.74 CCR1 (0.52) CCR1CCR8NOS3NOS2CYP3A4
SCHEMBL2931391 0.73 MAPT (0.46) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL15006447 0.73 CCR1 (0.56) CCR1CCR5CCR8HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US claimed
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN claimed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP claimed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US claimed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP disclosed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN disclosed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US disclosed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS 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-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 CCR1 3650/4885CCR5 4595/4885CCR8 3783/4885

“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.