SCHEMBL2942985

SCHEMBL2942985

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.48
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.40
CNR2 P34972 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CNR1 P21554 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
NOTUM Q6P988 2/20 0.40
POLB P06746 2/20 0.39
CYP2C9 P11712 1/20 0.39
SYK P43405 1/20 0.39
HSD11B1 P28845 1/20 0.38
BACE1 P56817 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL23349001 0.85 MAPT (0.51) SERPINE1KMT2AMAPTCNR2CYP2C19
SCHEMBL18064854 0.83 SERPINE1 (0.43) SERPINE1KMT2AMAPTCNR2CYP2C19
SCHEMBL18064852 0.83 SERPINE1 (0.43) SERPINE1KMT2AMAPTCNR2CYP2C19
SCHEMBL2939896 0.82 MAPT (0.43) SERPINE1KMT2AMAPTCHRNB2CHRNB4
SCHEMBL2569669 0.80 CNR2 (0.54) SERPINE1KMT2AMAPTCNR2CYP2C19
SCHEMBL2943203 0.80 ADRB1 (0.38) SERPINE1KMT2AMAPTCNR2CYP2C19
SCHEMBL2943150 0.80 MAPT (0.44) KMT2AMAPTCNR2CYP2C19CYP2C8
SCHEMBL4827893 0.80 CNR2 (0.54) SERPINE1KMT2AMAPTCNR2CYP2C19
SCHEMBL2569671 0.80 CNR2 (0.54) SERPINE1KMT2AMAPTCNR2CYP2C19
SCHEMBL2941532 0.79 MAPT (0.56) KMT2AMAPTCYP2D6CHRNB2CHRNB4

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 SERPINE1 2063/4885KMT2A 2065/4885MAPT 2140/4885

“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.