SCHEMBL10273476

SCHEMBL10273476

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 1/20 0.66
SRD5A1 P18405 1/20 0.54
SRD5A2 P31213 1/20 0.54

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
SCHEMBL10273967 0.85 HSD17B7 (0.49) HSD17B7SRD5A1SRD5A2
SCHEMBL13656756 0.81 HSD17B7 (0.64) HSD17B7
SCHEMBL4265828 0.81 HSD17B7 (0.64) HSD17B7
SCHEMBL4265826 0.81 HSD17B7 (0.64) HSD17B7
SCHEMBL12436566 0.81 MEN1 (0.50) HSD17B7SRD5A1SRD5A2
SCHEMBL15274285 0.81 HSD17B7 (0.45) HSD17B7
SCHEMBL5069378 0.80 HSD17B7 (0.61) HSD17B7SRD5A1
SCHEMBL7624183 0.79 HSD17B7 (0.63) HSD17B7
SCHEMBL11410427 0.78 HSD17B7 (0.59) HSD17B7SRD5A1SRD5A2
SCHEMBL4264788 0.78 HSD17B7 (0.59) HSD17B7SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2660241-A2 C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 BioMarin Pharmaceutical Inc. (US) 2013-11-06 EP disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 US disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 US disclosed
WO-2012083112-A2 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2012-06-21 WO 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-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS CYP4A11, HSD17B11, CYP21A2 HSD17B7 17/4885SRD5A1 38/4885SRD5A2 47/4885

“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.