SCHEMBL3768624

SCHEMBL3768624

CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@@H]43)[C@@H]1[C@H]1C[C@H]1[C@@]2(O)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.54
▸ AR P10275 13/20 0.54
▸ NR3C2 P08235 4/20 0.54
▸ CYP19A1 P11511 2/20 0.41
▸ LMNA P02545 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL3763967 1.00 PGR (0.54) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564406 0.89 PGR (0.53) PGRARNR3C2CYP19A1LMNA
SCHEMBL16564394 0.89 PGR (0.53) PGRARNR3C2CYP19A1LMNA
SCHEMBL3763162 0.88 PGR (0.64) PGRARNR3C2CYP19A1LMNA
SCHEMBL3761697 0.88 PGR (0.64) PGRARNR3C2CYP19A1LMNA
SCHEMBL3768432 0.84 PGR (0.54) PGRARNR3C2CYP19A1LMNA
SCHEMBL3766708 0.81 PGR (0.50) PGRARNR3C2LMNASLC6A4
SCHEMBL3773101 0.81 PGR (0.39) PGRARNR3C2CYP19A1LMNA
SCHEMBL13769000 0.79 PGR (0.77) PGRARNR3C2CYP19A1LMNA
SCHEMBL12998927 0.79 PGR (0.77) PGRARNR3C2CYP19A1LMNA

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 4 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 claimed
EP-2238149-B1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER IP GMBH (DE) 2015-03-18 — — EP claimed
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 claimed
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 claimed

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 PGR 57/4885AR 58/4885NR3C2 3/4885
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 PGR 57/4885AR 33/4885NR3C2 3/4885

“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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