SCHEMBL12949545

SCHEMBL12949545

C=CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(C)C(CC[C@@]34CCC(=O)O4)C12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.69
▸ PGR P06401 12/20 0.69
▸ NR3C2 P08235 3/20 0.66
▸ LMNA P02545 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ NR3C1 P04150 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ SLC47A1 Q96FL8 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL12949520 1.00 AR (0.69) ARPGRNR3C2LMNACYP3A4
SCHEMBL13062438 0.87 AR (0.68) ARPGRNR3C2
SCHEMBL12949428 0.86 AR (0.66) ARPGRNR3C2LMNACYP3A4
SCHEMBL12949526 0.86 AR (0.69) ARPGRNR3C2LMNACYP3A4
SCHEMBL12949548 0.86 AR (0.69) ARPGRNR3C2LMNACYP3A4
SCHEMBL12949427 0.85 PGR (0.66) ARPGRNR3C2LMNACYP3A4
SCHEMBL12949715 0.83 PGR (0.67) ARPGRNR3C2LMNACYP3A4
SCHEMBL12998972 0.82 AR (1.00) ARPGRNR3C2LMNAABCB11
SCHEMBL12943023 0.82 AR (1.00) ARPGRNR3C2LMNAABCB11
SCHEMBL12998956 0.82 AR (1.00) ARPGRNR3C2LMNAABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-01-27 — — 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-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE CYP17A1, NR5A1, CYP19A1 AR 39/4885PGR 29/4885NR3C2 17/4885

“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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