SCHEMBL2940852

SCHEMBL2940852

COc1ccc(N2CCCC2C(=O)O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
NTRK2 Q16620 1/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
GAA P10253 1/20 0.40
HSD11B1 P28845 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
FFAR1 O14842 1/20 0.40
TUBB4A P04350 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
SCHEMBL31481091 0.83 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2941141 0.82 MAPT (0.48) MAPTSMN1; SMN2LMNAFFAR1ALDH1A1
SCHEMBL2940011 0.81 KMT2A (0.49) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3312479 0.80 ALDH1A1 (0.60) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL2942976 0.80 MAPT (0.43) MAPTL3MBTL1SMN1; SMN2HSD11B1ALDH1A1
SCHEMBL11364664 0.80 KDM2B (0.39) MAPTMEN1KMT2ASMN1; SMN2NTRK1
SCHEMBL2942020 0.80 MAPT (0.42) MAPTKMT2ASMN1; SMN2HSD11B1FFAR1
SCHEMBL2935560 0.80 MAPT (0.42) MAPTKMT2ASMN1; SMN2HSD11B1FFAR1
SCHEMBL15664681 0.79 FFAR1 (0.60) SMN1; SMN2LMNAMAPK1GAAFFAR1
SCHEMBL15665205 0.79 FFAR1 (0.60) SMN1; SMN2LMNAMAPK1GAAFFAR1

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 2140/4885MEN1 3075/4885KMT2A 2065/4885

“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.