SCHEMBL13767673

SCHEMBL13767673

CC[C@]12CCC3C(C=CC4=CC(=O)CC[C@@H]43)C1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.58
▸ PGR P06401 18/20 0.58
▸ NR3C2 P08235 2/20 0.55
▸ LMNA P02545 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2B P41595 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
SCHEMBL12942959 1.00 AR (0.58) ARPGRNR3C2LMNAABCC4
SCHEMBL13556643 1.00 AR (0.58) ARPGRNR3C2LMNAABCC4
SCHEMBL12998939 0.91 AR (0.47) ARPGRNR3C2LMNAABCC4
SCHEMBL12942946 0.88 AR (0.45) ARPGRNR3C2LMNAABCC4
SCHEMBL13768837 0.88 AR (0.49) ARPGRNR3C2LMNAABCC4
SCHEMBL12942739 0.86 AR (0.57) ARPGRNR3C2
SCHEMBL12942849 0.86 AR (0.57) ARPGRNR3C2
SCHEMBL12942781 0.86 AR (0.57) ARPGRNR3C2
SCHEMBL12998952 0.85 AR (0.64) ARPGRNR3C2LMNAABCC4
SCHEMBL16572779 0.85 AR (0.64) ARPGRNR3C2LMNAABCC4

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-8445469-B2 18-methyl-19-nor-17-pregn-4-ene-21,17-carbolactones, as well as pharmaceutical preparations that contain the latter BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-21 — — US disclosed
US-8445469-B2 18-methyl-19-nor-17-pregn-4-ene-21,17-carbolactones, as well as pharmaceutical preparations that contain the latter BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-21 — — US disclosed
EP-1831240-B1 18-METHYL-19-NOR-17-PREGN-4-EN-21,17-CARBOLACTONES AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME SCHERING AG (DE) 2009-07-15 — — EP disclosed
US-20090029953-A1 18-METHYL-19-NOR-17-PREGN-4-ENE-21,17-CARBOLACTONES, AS WELL AS PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER BAYER SCHERING PHARMA AG (DE) 2009-01-29 — — US disclosed
US-20090029953-A1 18-METHYL-19-NOR-17-PREGN-4-ENE-21,17-CARBOLACTONES, AS WELL AS PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER BAYER SCHERING PHARMA AG (DE) 2009-01-29 — — 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-20090029953-A1 18-METHYL-19-NOR-17-PREGN-4-ENE-21,17-CARBOLACTONES, AS WELL AS PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER HSD17B7, HSD17B11, HSD3B1 AR 100/4885PGR 24/4885NR3C2 7/4885

“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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