SCHEMBL10273329

SCHEMBL10273329

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.46
SRD5A1 P18405 2/20 0.46
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL3802034 0.93 SRD5A1 (0.53) CYP19A1SRD5A1
SCHEMBL10274355 0.84 CYP19A1 (0.66) CYP19A1
SCHEMBL10273335 0.79 CYP19A1 (0.69) CYP19A1SRD5A1
SCHEMBL10274353 0.76 SRD5A1 (0.51) CYP19A1SRD5A1
SCHEMBL5183889 0.76 SRD5A1 (0.53) CYP19A1SRD5A1
SCHEMBL5183886 0.76 SRD5A1 (0.53) CYP19A1SRD5A1
SCHEMBL10274118 0.76 CYP19A1 (0.65) CYP19A1CYP1B1
SCHEMBL10273637 0.76 CYP19A1 (0.65) CYP19A1CYP1B1
SCHEMBL3797856 0.76 CYP19A1 (0.58) CYP19A1SRD5A1
SCHEMBL7529519 0.76 CYP19A1 (0.58) CYP19A1SRD5A1

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-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 38/4885CYP1B1 21/4885

“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.