SCHEMBL6453812

SCHEMBL6453812

CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@]3(O)/C=C\CO)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]32)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.65
▸ NR3C1 P04150 15/20 0.65
▸ AR P10275 11/20 0.65
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C8 P10632 1/20 0.45

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
SCHEMBL7148546 1.00 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL4665348 1.00 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL7148540 1.00 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL8541351 0.91 PGR (0.53) PGRNR3C1ARCYP3A4
SCHEMBL8538261 0.91 PGR (0.53) PGRNR3C1ARCYP3A4
SCHEMBL8541353 0.91 PGR (0.53) PGRNR3C1ARCYP3A4
SCHEMBL8540843 0.89 PGR (0.53) PGRNR3C1ARCYP3A4
SCHEMBL8539739 0.89 PGR (0.53) PGRNR3C1ARCYP3A4
SCHEMBL8768021 0.89 PGR (0.53) PGRNR3C1ARCYP3A4
SCHEMBL8536196 0.89 PGR (0.53) PGRNR3C1ARCYP3A4

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-20050064031-A1 Combination contraceptive, kits that contain the latter, and a method that uses the latter BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-24 — — US claimed

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-20050064031-A1 Combination contraceptive, kits that contain the latter, and a method that uses the latter GNRHR, PGRMC2, SHBG PGR 5/4885NR3C1 120/4885AR 244/4885

“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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