SCHEMBL2280955

SCHEMBL2280955

CN(C)c1ccc(/C=C(\Cc2ccccc2)C(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
TBXAS1 P24557 2/20 0.41
KCNH2 Q12809 2/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
MAOB P27338 1/20 0.39
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
PPARG P37231 1/20 0.36
TGM2 P21980 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AKR1B1 P15121 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
SCHEMBL2280959 1.00 CYP3A4 (0.59) CYP3A4CYP2C9TBXAS1KCNH2CCNE1
SCHEMBL2274215 0.82 CYP3A4 (0.64) CYP3A4CYP2C9TBXAS1ALOX5PTGES
SCHEMBL2274219 0.82 CYP3A4 (0.64) CYP3A4CYP2C9TBXAS1ALOX5PTGES
SCHEMBL1093086 0.79 CYP3A4 (0.64) CYP3A4CYP2C9TBXAS1CCNE1CDK2
SCHEMBL1093084 0.79 CYP3A4 (0.64) CYP3A4CYP2C9TBXAS1CCNE1CDK2
SCHEMBL2277729 0.78 CYP3A4 (0.59) CYP3A4CYP2C9TBXAS1KCNH2
SCHEMBL2277727 0.78 CYP3A4 (0.59) CYP3A4CYP2C9TBXAS1KCNH2
SCHEMBL58024 0.76 CYP3A4 (1.00) CYP3A4CYP2C9TBXAS1CES2CES1
SCHEMBL58023 0.76 CYP3A4 (1.00) CYP3A4CYP2C9TBXAS1CES2CES1
SCHEMBL1092835 0.76 CYP3A4 (0.68) CYP3A4CYP2C9TBXAS1ALOX5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US 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-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 CYP3A4 2080/4885CYP2C9 1989/4885TBXAS1 2914/4885

“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.