SCHEMBL4801164

SCHEMBL4801164

CC(=O)c1ccccc1-c1ccc2c(c1)CN(C(=O)C1CC1)c1ccc(Cl)cc1C=C2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.57
AVPR1A P37288 4/20 0.38
AVPR2 P30518 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C9 P11712 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL4801158 1.00 HSD17B3 (0.57) HSD17B3AVPR1AAVPR2CYP11B1CYP11B2
SCHEMBL4795528 0.90 HSD17B3 (0.69) HSD17B3
SCHEMBL4795520 0.90 HSD17B3 (0.69) HSD17B3
SCHEMBL4798000 0.87 HSD17B3 (0.60) HSD17B3
SCHEMBL4798014 0.87 HSD17B3 (0.60) HSD17B3
SCHEMBL4045585 0.83 HSD17B3 (0.65) HSD17B3
SCHEMBL4045578 0.83 HSD17B3 (0.65) HSD17B3
SCHEMBL4800474 0.83 HSD17B3 (0.67) HSD17B3
SCHEMBL4800463 0.83 HSD17B3 (0.67) HSD17B3
SCHEMBL6390310 0.82 HSD17B3 (0.64) HSD17B3

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 1/4885AVPR1A 4191/4885AVPR2 4155/4885

“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.