SCHEMBL923588

SCHEMBL923588

CC[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)/C=C\C(=O)O)[C@@H](C1CC1)CC1=CC(=O)CC[C@@H]13

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.51
AR P10275 15/20 0.51
LMNA P02545 3/20 0.42
SLC6A4 P31645 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 2/20 0.42
NR3C1 P04150 1/20 0.42
SHBG P04278 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C2 P08235 2/20 0.42
OPRM1 P35372 1/20 0.39

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
SCHEMBL922849 1.00 PGR (0.51) PGRARLMNASLC6A4MEN1
SCHEMBL924018 1.00 PGR (0.51) PGRARLMNASLC6A4MEN1
SCHEMBL923390 1.00 PGR (0.51) PGRARLMNASLC6A4MEN1
SCHEMBL923370 0.90 AR (0.50) PGRARLMNASLC6A4MEN1
SCHEMBL923400 0.90 AR (0.50) PGRARLMNASLC6A4MEN1
SCHEMBL925347 0.90 AR (0.50) PGRARLMNASLC6A4MEN1
SCHEMBL923635 0.90 AR (0.50) PGRARLMNASLC6A4MEN1
SCHEMBL923049 0.90 PGR (0.52) PGRARLMNASLC6A4MEN1
SCHEMBL925452 0.90 PGR (0.52) PGRARLMNASLC6A4MEN1
SCHEMBL923519 0.90 PGR (0.52) PGRARLMNASLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238150-B1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP claimed
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US claimed
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US 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-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative CYP17A1, CYP19A1, HSD17B7 PGR 29/4885AR 48/4885LMNA 430/4885

“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.