SCHEMBL2938359

SCHEMBL2938359

COc1ccc(O)cc1N1CCCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
KEAP1 Q14145 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 4/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
NTRK2 Q16620 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2939647 0.81 CHRNB4 (0.47) CHRNB4CHRNA3MAPTHSP90AA1HSP90AB1
SCHEMBL2935668 0.80 SMN1; SMN2 (0.42) KEAP1SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL2942286 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MAPTHSP90AA1HSP90AB1ALDH1A1
SCHEMBL2940852 0.79 MAPT (0.46) KEAP1SMN1; SMN2MAPTITGB2ICAM1
SCHEMBL2938414 0.77 CHRNB4 (0.53) CHRNB4CHRNA3MAPTITGB2ICAM1
SCHEMBL2940292 0.76 CHRNB4 (0.55) CHRNB4CHRNA3
SCHEMBL5668659 0.76 SMN1; SMN2 (0.48) KEAP1SMN1; SMN2MAPTALDH1A1
SCHEMBL10075550 0.76 SMN1; SMN2 (0.48) KEAP1SMN1; SMN2MAPTITGB2ICAM1
SCHEMBL2938874 0.75 KEAP1 (0.43) CHRNB4CHRNA3KEAP1SMN1; SMN2MAPT
SCHEMBL2939703 0.74 NOTUM (0.51) KEAP1

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 CHRNB4 979/4885CHRNA3 1452/4885KEAP1 239/4885

“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.