SCHEMBL10273399

SCHEMBL10273399

CC(=O)OC1CC[C@H]2[C@@H]3CC(C)C4=CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 1/20 0.52
▸ CYP19A1 P11511 11/20 0.50
▸ SHBG P04278 3/20 0.50
▸ LMNA P02545 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ NR3C1 P04150 2/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ NR3C2 P08235 1/20 0.45
▸ AR P10275 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9066088 0.85 SERPINA6 (0.72) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL10273391 0.85 SERPINA6 (0.72) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL9066081 0.85 SERPINA6 (0.72) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL10273396 0.82 SHBG (0.70) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL10273745 0.80 SERPINA6 (0.55) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL5708095 0.74 AR (0.70) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL8641139 0.74 CYP19A1 (0.80) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL8645662 0.74 CYP19A1 (0.63) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL9549867 0.74 AR (0.70) SERPINA6CYP19A1SHBGLMNACYP3A4
SCHEMBL8645665 0.74 CYP19A1 (0.63) SERPINA6CYP19A1SHBGLMNACYP3A4

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 SERPINA6 360/4885CYP19A1 10/4885SHBG 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.

Send feedback