SCHEMBL13006381

SCHEMBL13006381

C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1C1C2CC[C@@]2(C)C1[C@@H]1C[C@@H]1[C@@]2(O)CCCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.63
PGR P06401 3/20 0.63
LMNA P02545 3/20 0.61
NR3C1 P04150 3/20 0.61
ABCC4 O15439 1/20 0.61
ABCB11 O95342 1/20 0.61
CHRM2 P08172 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2B P41595 1/20 0.61
KMT2A Q03164 2/20 0.44
HIF1A Q16665 3/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 6/20 0.40
HSD17B10 Q99714 3/20 0.40
SHBG P04278 2/20 0.40
TSHR P16473 2/20 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
SCHEMBL13139288 0.94 PGR (0.65) ARPGRLMNANR3C1ABCC4
SCHEMBL13093755 0.90 PGR (0.65) ARPGRLMNANR3C1ABCC4
SCHEMBL13103475 0.89 PGR (0.54) ARPGRLMNANR3C1ABCC4
SCHEMBL13830644 0.88 PGR (0.62) ARPGRLMNANR3C1ABCC4
SCHEMBL12558811 0.88 AR (0.62) ARPGRLMNANR3C1ABCC4
SCHEMBL12957695 0.86 PGR (0.60) ARPGRLMNANR3C1ABCC4
SCHEMBL13139252 0.86 PGR (0.61) ARPGRLMNANR3C1ABCC4
SCHEMBL13093766 0.85 PGR (0.55) ARPGRLMNANR3C1ABCC4
SCHEMBL13139246 0.85 PGR (0.55) ARPGRLMNANR3C1ABCC4
SCHEMBL13139255 0.85 PGR (0.59) ARPGRLMNANR3C1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383809-B2 Process for the preparation of drospirenone NEWCHEM S.P.A. (IT) 2013-02-26 US disclosed
US-8383809-B2 Process for the preparation of drospirenone NEWCHEM S.P.A. (IT) 2013-02-26 US disclosed
EP-2019114-B1 Process for the preparation of Drospirenone NEWCHEM S P A (IT) 2010-12-15 EP disclosed
US-20100222571-A1 PROCESS FOR THE PREPARATION OF DROSPIRENONE NEWCHEM S.P.A. (IT) 2010-09-02 US disclosed
US-20100222571-A1 PROCESS FOR THE PREPARATION OF DROSPIRENONE NEWCHEM S.P.A. (IT) 2010-09-02 US disclosed
WO-2009012955-A2 PROCESS FOR THE PREPARATION OF DROSPIRENONE NEWCHEM S.P.A. (IT) 2009-01-29 WO disclosed
EP-2019114-A1 Process for the preparation of Drospirenone Newchem S.p.A. (IT) 2009-01-28 EP 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-20100222571-A1 PROCESS FOR THE PREPARATION OF DROSPIRENONE CYP17A1, CYP19A1, DHCR7 AR 48/4885PGR 59/4885LMNA 1804/4885

“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.