SCHEMBL2935560

SCHEMBL2935560

O=C(O)C1CCCN1c1ccc(Cl)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NOTUM Q6P988 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR1 P21554 1/20 0.38
CYP2C19 P33261 1/20 0.38
MGLL Q99685 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL2942020 0.83 MAPT (0.42) MAPTNOTUMSMN1; SMN2CHRNB2CHRNB4
SCHEMBL2941141 0.83 MAPT (0.48) MAPTSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL2942976 0.81 MAPT (0.43) MAPTSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL9104214 0.80 FFAR1 (0.53) MAPTNOTUMSMN1; SMN2MMP8MMP12
SCHEMBL3708048 0.80 FFAR1 (0.53) MAPTNOTUMSMN1; SMN2MMP8MMP12
SCHEMBL1274844 0.80 FFAR1 (0.53) MAPTNOTUMSMN1; SMN2MMP8MMP12
SCHEMBL2940852 0.80 MAPT (0.46) MAPTSMN1; SMN2KMT2AFFAR1HSD11B1
SCHEMBL2942230 0.80 HSD11B1 (0.46) MAPTNOTUMCNR2CYP2C8CNR1
SCHEMBL2936957 0.79 ALDH1A1 (0.37) NOTUMTSHRMGLLFFAR1HSD11B1
SCHEMBL2942724 0.79 MAPT (0.39) MAPTSMN1; SMN2CHRNB2CHRNB4CHRNA3

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 MAPT 2140/4885NOTUM 2973/4885SMN1; SMN2 4604/4885

“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.