SCHEMBL4798331

SCHEMBL4798331

COc1ccc(-c2ccc3c(c2)CN(C(C)=O)c2ccc(Cl)cc2/C=C\3)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 16/20 0.68
NOTUM Q6P988 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41

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
SCHEMBL4798340 1.00 HSD17B3 (0.68) HSD17B3NOTUMCYP11B1CYP11B2BRD4
SCHEMBL4798815 0.91 HSD17B3 (0.68) HSD17B3NOTUMBRD4BRD2BRD3
SCHEMBL4798832 0.91 HSD17B3 (0.68) HSD17B3NOTUMBRD4BRD2BRD3
SCHEMBL4799771 0.90 HSD17B3 (0.70) HSD17B3CYP11B1CYP11B2
SCHEMBL4799778 0.90 HSD17B3 (0.70) HSD17B3CYP11B1CYP11B2
SCHEMBL4800596 0.87 HSD17B3 (0.73) HSD17B3CYP11B1CYP11B2
SCHEMBL4800587 0.87 HSD17B3 (0.73) HSD17B3CYP11B1CYP11B2
SCHEMBL4796817 0.87 HSD17B3 (0.54) HSD17B3NOTUM
SCHEMBL4796810 0.87 HSD17B3 (0.54) HSD17B3NOTUM
SCHEMBL4795480 0.86 HSD17B3 (0.65) HSD17B3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885NOTUM 465/4885CYP11B1 20/4885

“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.