SCHEMBL3650423

SCHEMBL3650423

CC(=O)OC1C(O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.52
AR P10275 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 3/20 0.48
GPBAR1 Q8TDU6 3/20 0.48
CYP3A4 P08684 3/20 0.48
SHBG P04278 2/20 0.48
SERPINA6 P08185 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
BCHE P06276 3/20 0.47
ACHE P22303 1/20 0.47
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
MGAM O43451 1/20 0.46

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
SCHEMBL3650419 1.00 CYP19A1 (0.52) CYP19A1ARESR1ESR2LMNA
SCHEMBL4938592 0.81 BCHE (0.42) LMNACYP3A4SERPINA6BCHEACHE
SCHEMBL4938581 0.81 BCHE (0.42) LMNACYP3A4SERPINA6BCHEACHE
SCHEMBL6343574 0.80 ATP1A1 (0.48) CYP19A1ARESR1ESR2GPBAR1
SCHEMBL3196049 0.76 ALDH1A1 (0.67) LMNAGPBAR1CYP3A4SHBGSERPINA6
SCHEMBL22100505 0.76 AR (0.61) CYP19A1ARESR1ESR2LMNA
SCHEMBL22069433 0.76 AR (0.61) CYP19A1ARESR1ESR2LMNA
SCHEMBL17341023 0.76 ALDH1A1 (0.42) CYP19A1ARGPBAR1CYP3A4SHBG
SCHEMBL10404807 0.75 AR (0.60) CYP19A1ARESR1ESR2LMNA
SCHEMBL10403371 0.75 AR (0.60) CYP19A1ARESR1ESR2LMNA

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 17/4885AR 39/4885ESR1 238/4885

“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.