SCHEMBL2936673

SCHEMBL2936673

COc1cc(OC)cc(-c2c(N)cccc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2E1 P05181 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP4B1 P13584 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP3A5 P20815 2/20 0.48
CYP2A7 P20853 2/20 0.48
CYP3A7 P24462 2/20 0.48
CYP2F1 P24903 2/20 0.48
CYP2C18 P33260 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2J2 P51589 2/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4F8 P98187 2/20 0.48
CYP4A11 Q02928 2/20 0.48

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
SCHEMBL2939441 0.88 HDAC4 (0.57) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Hydrochloric Acid SCHEMBL2938124 0.87 HDAC4 (0.55) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL2940196 0.84 HDAC4 (0.50) HDAC4HDAC8ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2934691 0.83 HDAC4 (0.49) CYP3A4HDAC4HDAC8ALDH1A1SMN1; SMN2
SCHEMBL2936122 0.77 ALDH1A1 (0.47) CYP3A4ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2941045 0.77 TSHR (0.41) CYP3A4ALDH1A1KDM4EMEN1GAA
SCHEMBL2939499 0.76 ALOX15 (0.44) CYP3A4CYP1A2CYP2D6CYP2C9CYP2B6
SCHEMBL2933993 0.76 NQO1 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2B6
SCHEMBL2934582 0.74 TP53 (0.51) CYP3A4ALDH1A1KDM4EMEN1GAA
SCHEMBL2939097 0.74 CYP3A4 (0.53) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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 8 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
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US 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
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 CYP3A4 51/4885CYP1A1 41/4885CYP1A2 71/4885

“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.