SCHEMBL12906872

SCHEMBL12906872

C[C@]12CCC3C(CCC4=CC(=O)CC[C@@H]43)C1C1CC1[C@@]21C=CC(=O)O1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.66
▸ AR P10275 12/20 0.66
▸ NR3C2 P08235 2/20 0.52
▸ CYP19A1 P11511 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ABCB11 O95342 1/20 0.48

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
SCHEMBL12907001 1.00 PGR (0.66) PGRARNR3C2CYP19A1LMNA
SCHEMBL12906977 1.00 PGR (0.66) PGRARNR3C2CYP19A1LMNA
SCHEMBL12906883 0.88 PGR (0.51) PGRARNR3C2LMNACYP3A4
SCHEMBL12907016 0.85 PGR (0.67) PGRARNR3C2
SCHEMBL12907021 0.85 AR (0.67) PGRARNR3C2
SCHEMBL12906970 0.85 PGR (0.66) PGRARNR3C2CYP19A1LMNA
SCHEMBL12906854 0.85 AR (0.67) PGRARNR3C2
SCHEMBL12906873 0.85 PGR (0.67) PGRARNR3C2
SCHEMBL12906980 0.85 AR (0.67) PGRARNR3C2
SCHEMBL12906908 0.85 PGR (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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

“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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