SCHEMBL10273335

SCHEMBL10273335

C[C@]12CCCC(=O)NC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.69
SRD5A1 P18405 2/20 0.57
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
AR P10275 2/20 0.54
SHBG P04278 1/20 0.54
SERPINA6 P08185 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL7617295 0.93 SRD5A1 (0.64) CYP19A1SRD5A1ESR1ESR2AR
SCHEMBL7617290 0.93 SRD5A1 (0.64) CYP19A1SRD5A1ESR1ESR2AR
SCHEMBL10274354 0.83 SRD5A1 (0.49) CYP19A1SRD5A1AR
SCHEMBL10274355 0.82 CYP19A1 (0.66) CYP19A1SHBGSERPINA6
SCHEMBL10273329 0.79 CYP19A1 (0.46) CYP19A1SRD5A1
SCHEMBL12423999 0.78 SRD5A1 (0.58) SRD5A1SHBGSERPINA6
SCHEMBL14185033 0.78 SRD5A1 (0.58) SRD5A1SHBGSERPINA6
SCHEMBL4421313 0.78 SRD5A1 (0.58) SRD5A1SHBGSERPINA6
SCHEMBL14359642 0.78 SRD5A1 (0.58) SRD5A1SHBGSERPINA6
SCHEMBL9318216 0.78 SRD5A1 (0.61) CYP19A1SRD5A1ESR1ESR2AR

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 CYP19A1 10/4885SRD5A1 38/4885ESR1 290/4885

“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.