SCHEMBL10273729

SCHEMBL10273729

CCC1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 1.00
CYP3A4 P08684 3/20 0.76
SHBG P04278 3/20 0.74
AR P10275 3/20 0.72
LMNA P02545 3/20 0.61
HSD17B10 Q99714 3/20 0.61
NR3C1 P04150 2/20 0.61
PGR P06401 2/20 0.61
SERPINA6 P08185 2/20 0.61
TSHR P16473 2/20 0.61
SNCA P37840 2/20 0.61
CACNA1C Q13936 2/20 0.61
CYP51A1 Q16850 2/20 0.61
GPBAR1 Q8TDU6 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
OR51E2 Q9H255 1/20 0.61

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
6Beta-Hydroxytestosterone SCHEMBL127408 0.86 CYP3A4 (1.00) CYP19A1CYP3A4SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL135030 0.86 CYP3A4 (1.00) CYP19A1CYP3A4SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL4122472 0.86 CYP3A4 (1.00) CYP19A1CYP3A4SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL13752809 0.86 CYP3A4 (1.00) CYP19A1CYP3A4SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL3278189 0.86 CYP3A4 (1.00) CYP19A1CYP3A4SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL14067596 0.86 CYP3A4 (1.00) CYP19A1CYP3A4SHBGARLMNA
6Beta-Hydroxytestosterone SCHEMBL28056047 0.86 CYP3A4 (1.00) CYP19A1CYP3A4SHBGARLMNA
SCHEMBL5021333 0.85 CYP19A1 (1.00) CYP19A1CYP3A4SHBGARLMNA
SCHEMBL11524096 0.85 CYP19A1 (1.00) CYP19A1CYP3A4SHBGARLMNA
SCHEMBL6006779 0.85 CYP19A1 (1.00) CYP19A1CYP3A4SHBGARLMNA

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 10/4885CYP3A4 44/4885SHBG 70/4885

“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.