SCHEMBL2935899

SCHEMBL2935899

OCCC1CCCN1c1cccc(O)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
NR1I2 O75469 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PBRM1 Q86U86 1/20 0.36
TIPARP Q7Z3E1 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ACVR1 Q04771 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
LMNA P02545 1/20 0.33
NPY5R Q15761 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL2943119 0.90 CCNE2 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2940803 0.82 ROCK2 (0.40) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2938205 0.80 NR1I2 (0.38) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2936118 0.80 NR1I2 (0.40) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2940469 0.80 KMT2A (0.32) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2943653 0.78 NR1I2 (0.41) CCNE1CDK2NR1I2SMARCA2SMARCA4
SCHEMBL2932827 0.75 KMT2A (0.48) MEN1KMT2AALDH1A1MAPT
SCHEMBL2941537 0.74 NOTUM (0.38) ALDH1A1
SCHEMBL2938608 0.72 AR (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2940730 0.71 ACVR1 (0.41) CCNE2CDK4CCND1CCNE1CDK2

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 CCNE2 64/4885CDK4 25/4885CCND1 32/4885

“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.