SCHEMBL2942151

SCHEMBL2942151

Cc1cc(O)cc(N2CCC(O)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
NOTUM Q6P988 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
RAD52 P43351 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ABL1 P00519 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MYC P01106 2/20 0.33
WDR5 P61964 2/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL20694289 0.90 AR (0.45) ARNOTUMALDH1A1CDK1CDK2
SCHEMBL18882729 0.86 ALDH1A1 (0.44) NOTUMALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2942517 0.80 NOTUM (0.51) ARNOTUMCDK1CDK2ABL1
SCHEMBL2937390 0.80 AR (0.41) ARNOTUMCDK1CDK2ABL1
SCHEMBL15315554 0.80 AR (0.39) ARNOTUMALDH1A1CDK1CDK2
SCHEMBL14032723 0.80 LMNA (0.49) ARNOTUMALDH1A1
SCHEMBL2939535 0.80 AR (0.39) ARALDH1A1CDK1CDK2LOXL2
SCHEMBL2932821 0.80 MAP2K7 (0.38) NOTUMALDH1A1FFAR4
SCHEMBL2940498 0.80 AR (0.42) ARALDH1A1CDK1CDK2SUV39H2
SCHEMBL14032621 0.80 LMNA (0.49) ARNOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO claimed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US claimed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 EP claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP disclosed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO disclosed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 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 (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-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 AR 71/4885NOTUM 2973/4885ALDH1A1 8/4885

“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.