SCHEMBL3773112

SCHEMBL3773112

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1[C@H]1C[C@H]1[C@@]2(O)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.48
▸ PGR P06401 12/20 0.48
▸ NR3C2 P08235 2/20 0.48
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ NR3C1 P04150 2/20 0.37
▸ PDE4D Q08499 2/20 0.37

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
SCHEMBL16564526 0.88 AR (0.46) ARPGRNR3C2LMNACYP3A4
SCHEMBL3766911 0.87 AR (0.51) ARPGRNR3C2LMNACYP3A4
SCHEMBL13556644 0.83 AR (0.52) ARPGRNR3C2LMNACYP3A4
SCHEMBL3763087 0.80 PGR (0.58) ARPGRLMNACYP3A4CYP2C19
SCHEMBL923996 0.80 AR (0.48) ARPGRNR3C2LMNACYP3A4
SCHEMBL3359670 0.80 PGR (0.58) ARPGRLMNACYP3A4CYP2C19
SCHEMBL3354656 0.80 PGR (0.58) ARPGRLMNACYP3A4CYP2C19
SCHEMBL923848 0.80 AR (0.48) ARPGRNR3C2LMNACYP3A4
SCHEMBL10089125 0.79 AR (0.55) ARPGRNR3C2LMNACYP3A4
SCHEMBL3763186 0.78 AR (0.60) ARPGRNR3C2LMNACYP3A4

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-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
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-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 57/4885NR3C2 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 AR 33/4885PGR 57/4885NR3C2 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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