SCHEMBL15079233

SCHEMBL15079233

CC(C)n1c(=O)[nH]c2c(C(C)(C)C)cccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
DAO P14920 5/20 0.41
PGR P06401 8/20 0.41
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2B6 P20813 1/20 0.34

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
SCHEMBL12794217 0.86 POLB (0.51) POLBDAOPGRKIF11ALDH1A1
SCHEMBL12794256 0.78 POLB (0.56) POLBDAOPGR
SCHEMBL3146700 0.78 DAO (0.58) POLBDAOPGRCYP3A4CYP2B6
SCHEMBL1496451 0.78 POLB (0.56) POLBDAOPGRALDH1A1HPGD
SCHEMBL15468282 0.78 KIF11 (0.44) POLBDAOKIF11ALDH1A1
SCHEMBL12793646 0.78 DAO (0.67) POLBDAOPGRALDH1A1HPGD
SCHEMBL12794017 0.78 POLB (0.56) POLBDAOPGRALDH1A1HPGD
SCHEMBL12792523 0.75 DAO (0.63) POLBDAOPGRALDH1A1HPGD
SCHEMBL12792847 0.74 POLB (0.55) POLBDAOPGRALDH1A1HPGD
SCHEMBL798322 0.74 POLB (0.51) POLBDAOPGR

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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 POLB 1298/4885DAO 1267/4885PGR 2874/4885

“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.