SCHEMBL2939896

SCHEMBL2939896

O=C(O)C1CCCN1c1cc(O)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HSD11B1 P28845 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
SERPINE1 P05121 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2943150 0.84 MAPT (0.44) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2941532 0.82 MAPT (0.56) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2942985 0.82 SERPINE1 (0.48) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2941389 0.79 MAPT (0.43) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2938874 0.79 KEAP1 (0.43) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2939349 0.78 CA12 (0.39) HCAR1CA12CA1CA9MGLL
SCHEMBL2938959 0.78 MAPT (0.40) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25262222 0.76 TDP1 (0.45) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11985500 0.76 NOTUM (0.49) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2935199 0.76 SPHK2 (0.38) CA12CA1CA9

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 2140/4885CHRNB2 1321/4885CHRNB4 979/4885

“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.