SCHEMBL13062187

SCHEMBL13062187

C[C@]12CCC3C(C=CC4=CC(=O)CC[C@@H]43)C1CC[C@@]21CCCO1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.66
▸ PGR P06401 6/20 0.66
▸ NR3C2 P08235 3/20 0.66
▸ NR3C1 P04150 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PDE4D Q08499 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL13062170 0.88 AR (0.50) ARPGRNR3C2NR3C1CYP3A4
SCHEMBL12949430 0.86 PGR (0.67) ARPGRNR3C2NR3C1CYP3A4
SCHEMBL12949722 0.86 PGR (0.67) ARPGRNR3C2NR3C1CYP3A4
SCHEMBL13062189 0.85 AR (0.67) ARPGRNR3C2NR3C1CYP3A4
SCHEMBL13770467 0.85 AR (0.48) ARPGRNR3C2NR3C1CYP3A4
SCHEMBL13557252 0.81 AR (0.57) ARPGRNR3C2NR3C1CYP3A4
SCHEMBL13013797 0.79 AR (1.00) ARPGRNR3C2
SCHEMBL13013564 0.79 AR (1.00) ARPGRNR3C2
SCHEMBL12942706 0.79 AR (0.55) ARPGRNR3C2NR3C1CHRM2
SCHEMBL12942779 0.79 AR (0.55) ARPGRNR3C2NR3C1CHRM2

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-20100317632-A1 17-(1'PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-12-16 — — 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-20100317632-A1 17-(1'PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE NR5A1, CYP19A1, CYP17A1 AR 44/4885PGR 8/4885NR3C2 11/4885

“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.

Send feedback