SCHEMBL2940337

SCHEMBL2940337

Oc1cccc(N2CCC(O)C2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 8/20 0.42
NOTUM Q6P988 1/20 0.41
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 0.38
PBRM1 Q86U86 2/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 3/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1410239 0.85 NOTUM (0.44) IDH2NOTUMLMNAHSD11B1PDE3B
SCHEMBL2941126 0.82 NOTUM (0.39) NOTUMALDH1A1
SCHEMBL2934956 0.81 NOTUM (0.65) NOTUM
SCHEMBL2938797 0.80 NOTUM (0.44) IDH2NOTUMSMARCA2SMARCA4PBRM1
SCHEMBL2941537 0.80 NOTUM (0.38) NOTUMALDH1A1
SCHEMBL2941571 0.79 RBP4 (0.40) NOTUMALDH1A1MAPT
SCHEMBL2941156 0.78 MAPT (0.40) SMARCA2SMARCA4PBRM1LMNAMEN1
SCHEMBL1410314 0.77 NOTUM (0.50) IDH2NOTUMHSD11B1PDE3BPDE3A
SCHEMBL2935411 0.77 PBRM1 (0.40) NOTUMSMARCA2SMARCA4PBRM1CDK2
SCHEMBL2940182 0.77 NOTUM (0.49) NOTUMSMARCA2SMARCA4PBRM1CDK2

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 IDH2 530/4885NOTUM 2973/4885SMARCA2 2388/4885

“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.