SCHEMBL12895649

SCHEMBL12895649

COC(=O)N1CCCC(C)(O)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.51
CYP1A2 P05177 9/20 0.51
CYP2D6 P10635 7/20 0.51
ALDH1A1 P00352 4/20 0.51
USP2 O75604 2/20 0.50
CYP3A4 P08684 8/20 0.47
CYP2C19 P33261 7/20 0.47
TSHR P16473 6/20 0.47
HSD17B10 Q99714 3/20 0.46
HIF1A Q16665 2/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL12254227 0.85 CYP2C9 (0.54) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL3940936 0.81 HPGD (0.45) ALDH1A1USP2HPGD
SCHEMBL24711544 0.81 HPGD (0.45) ALDH1A1USP2HPGD
SCHEMBL24095376 0.81 HPGD (0.45) ALDH1A1USP2HPGD
SCHEMBL29891860 0.79 CYP1A2 (0.65) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL9718108 0.79 CYP2C9 (0.49) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL3947734 0.79 VNN1 (0.37) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL4550437 0.79 CYP3A4 (0.43) CYP1A2CYP2D6ALDH1A1USP2CYP3A4
SCHEMBL30728778 0.78 POLB (0.48) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL1983220 0.78 CYP2C9 (0.51) CYP2C9CYP1A2CYP2D6ALDH1A1USP2

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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 CYP2C9 3796/4885CYP1A2 2536/4885CYP2D6 2028/4885

“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.