SCHEMBL3660084

SCHEMBL3660084

CCC1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.57
SHBG P04278 5/20 0.57
HSD17B10 Q99714 3/20 0.57
NR3C1 P04150 2/20 0.57
PGR P06401 2/20 0.57
SERPINA6 P08185 2/20 0.57
CYP3A4 P08684 2/20 0.57
AR P10275 2/20 0.57
GPBAR1 Q8TDU6 2/20 0.57
NR3C2 P08235 1/20 0.57
MGAM O43451 1/20 0.57
PDK1 Q15118 2/20 0.49
PDK2 Q15119 2/20 0.49
PDK3 Q15120 2/20 0.49
PDK4 Q16654 2/20 0.49
LMNA P02545 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL3660082 1.00 CYP19A1 (0.57) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL10273585 0.82 CYP19A1 (0.61) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL11232039 0.82 CYP19A1 (0.61) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL11951198 0.82 CYP19A1 (0.38) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL28216403 0.82 CYP19A1 (0.60) CYP19A1SHBGSERPINA6CYP3A4GPBAR1
SCHEMBL3652868 0.81 CYP19A1 (0.60) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL28290732 0.81 CYP19A1 (0.60) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL3652870 0.81 CYP19A1 (0.60) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL28405081 0.81 CYP19A1 (0.60) CYP19A1SHBGHSD17B10NR3C1PGR
SCHEMBL10963190 0.81 CYP19A1 (0.72) CYP19A1SHBGHSD17B10NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664210-B2 Aminooxime derivatives of 2- and/or 4-substituted androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2014-03-04 US disclosed
EP-2209795-B1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-04-24 EP disclosed
US-20100324003-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-12-23 US disclosed
EP-2209795-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2010-07-28 EP disclosed
WO-2009047101-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-04-16 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-20100324003-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS CYP11B2, CYP11B1, SRD5A2 CYP19A1 17/4885SHBG 16/4885HSD17B10 60/4885

“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.