SCHEMBL12606608

SCHEMBL12606608

C[C@]12CCC(=O)C=C1NCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 20/20 0.80

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
SCHEMBL12651156 1.00 SRD5A2 (0.80) SRD5A2
SCHEMBL9159638 1.00 SRD5A2 (0.80) SRD5A2
SCHEMBL19544537 0.91 SRD5A2 (0.80) SRD5A2
SCHEMBL19544512 0.90 SRD5A2 (0.79) SRD5A2
SCHEMBL8616254 0.89 SRD5A2 (1.00) SRD5A2
SCHEMBL8616250 0.89 SRD5A2 (1.00) SRD5A2
SCHEMBL8611619 0.86 SRD5A2 (1.00) SRD5A2
SCHEMBL8611622 0.86 SRD5A2 (1.00) SRD5A2
SCHEMBL8528588 0.86 SRD5A2 (0.76) SRD5A2
SCHEMBL8532138 0.86 SRD5A2 (1.00) SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481530-B2 3β-hydroxysteroid dehydrogenase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-07-09 US disclosed
US-8481530-B2 3β-hydroxysteroid dehydrogenase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-07-09 US disclosed
US-20110124639-A1 3 BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2011-05-26 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-20110124639-A1 3 BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B3, HSD3B1, HSD17B1 SRD5A2 11/4885

“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.