SCHEMBL12943138

SCHEMBL12943138

CC[C@]12CCC3C(C(C)CC4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21CCC(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.59
▸ AR P10275 16/20 0.59
▸ NR3C2 P08235 2/20 0.43
▸ NR1I2 O75469 2/20 0.43
▸ NR3C1 P04150 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ LMNA P02545 1/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2B P41595 1/20 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
SCHEMBL14949842 0.91 PGR (0.59) PGRARNR3C2NR1I2NR3C1
SCHEMBL14949843 0.91 PGR (0.62) PGRARNR3C2NR1I2NR3C1
SCHEMBL14949838 0.88 PGR (0.61) PGRARNR3C2NR1I2NR3C1
SCHEMBL13768715 0.88 AR (0.75) PGRARNR3C2
SCHEMBL13796418 0.88 AR (0.75) PGRARNR3C2
SCHEMBL12942947 0.88 AR (0.75) PGRARNR3C2
SCHEMBL16572811 0.88 AR (0.75) PGRARNR3C2
SCHEMBL12942952 0.87 AR (0.78) PGRARNR3C2NR3C1LMNA
SCHEMBL12942957 0.87 PGR (0.57) PGRARNR3C2NR1I2NR3C1
SCHEMBL12998931 0.87 PGR (0.61) PGRARNR3C2NR3C1LMNA

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 5 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-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 (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-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 48/4885NR3C2 17/4885
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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