SCHEMBL2938484

SCHEMBL2938484

OCC1CCCN1c1cc(O)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.42
CDK1 P06493 2/20 0.38
SPHK2 Q9NRA0 5/20 0.38
SPHK1 Q9NYA1 5/20 0.38
OPRK1 P41145 1/20 0.37
TYMP P19971 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CUL4A Q13619 1/20 0.36
SOS1 Q07889 2/20 0.35
CHRNB2 P17787 1/20 0.35

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
SCHEMBL4081189 0.93 MAP2K7 (0.39) MAP2K7CDK1SPHK2SPHK1OPRK1
SCHEMBL3179170 0.84 MAP2K7 (0.49) MAP2K7CDK1SPHK2SPHK1OPRK1
SCHEMBL2935503 0.83 CHRNB4 (0.43) FFAR1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2938685 0.82 MAP2K7 (0.42) MAP2K7SPHK2SPHK1FFAR1CHRNB4
SCHEMBL10208772 0.80 ADRB1 (0.46) SPHK2SPHK1TYMPCCNE2CDK4
SCHEMBL2937114 0.80 HSD17B10 (0.38)
SCHEMBL2938414 0.79 CHRNB4 (0.53) MAP2K7SPHK2CHRNB4CHRNA3CHRNB2
SCHEMBL9899367 0.78 NR1I2 (0.38) CDK1SPHK2SPHK1TYMPKDM4E
SCHEMBL9899369 0.78 NR1I2 (0.38) CDK1SPHK2SPHK1TYMPKDM4E
SCHEMBL2940630 0.77 FFAR1 (0.40) MAP2K7CDK1OPRK1TYMPKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAP2K7 2105/4885CDK1 119/4885SPHK2 2762/4885

“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.