SCHEMBL12998952

SCHEMBL12998952

C[C@]12CCC3C4CCC(=O)C=C4C=CC3C1C1CC1[C@@]21CCC(=O)O1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.64
▸ PGR P06401 17/20 0.64
▸ NR3C1 P04150 2/20 0.54
▸ CHRM2 P08172 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ NR3C2 P08235 2/20 0.53
▸ OPRK1 P41145 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL16572808 1.00 AR (0.64) ARPGRNR3C1CHRM2LMNA
SCHEMBL12942953 1.00 AR (0.64) ARPGRNR3C1CHRM2LMNA
SCHEMBL16572791 1.00 AR (0.64) ARPGRNR3C1CHRM2LMNA
SCHEMBL16572779 1.00 AR (0.64) ARPGRNR3C1CHRM2LMNA
SCHEMBL13768472 1.00 AR (0.64) ARPGRNR3C1CHRM2LMNA
SCHEMBL12998924 0.90 PGR (0.55) ARPGRNR3C1CHRM2LMNA
SCHEMBL12942942 0.88 PGR (0.52) ARPGRNR3C1CHRM2LMNA
SCHEMBL13556643 0.85 AR (0.58) ARPGRNR3C1CHRM2LMNA
SCHEMBL13767673 0.85 AR (0.58) ARPGRNR3C1CHRM2LMNA
SCHEMBL12942959 0.85 AR (0.58) ARPGRNR3C1CHRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987239-B2 19-nor-steroid derivatives with a 15α,16α-methylene group and a saturated 17,17-spirolactone ring, use thereof, and medicaments containing said derivatives Bayer Intellectual Property GbmH (DE) 2015-03-24 — — US disclosed
US-8987239-B2 19-nor-steroid derivatives with a 15α,16α-methylene group and a saturated 17,17-spirolactone ring, use thereof, and medicaments containing said derivatives Bayer Intellectual Property GbmH (DE) 2015-03-24 — — US disclosed
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US disclosed
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US disclosed
US-20100311702-A1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17, 17-SPIRO-LACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTEINGESELLSCHAFT (DE) 2010-12-09 — — US disclosed
US-20100311702-A1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17, 17-SPIRO-LACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTEINGESELLSCHAFT (DE) 2010-12-09 — — 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 (2 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-20100311702-A1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17, 17-SPIRO-LACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 AR 58/4885PGR 57/4885NR3C1 29/4885
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 AR 33/4885PGR 57/4885NR3C1 35/4885

“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.

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