SCHEMBL13062197

SCHEMBL13062197

C=C1CC2C(CC[C@@]3(CC)C2CC[C@@]32CCCO2)[C@H]2CCC(=O)C=C12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.45
▸ PGR P06401 12/20 0.45
▸ NR3C2 P08235 5/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ SHBG P04278 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CYP19A1 P11511 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
SCHEMBL13770130 1.00 AR (0.45) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13062439 0.89 PGR (0.35) ARPGRNR3C2MEN1CYP3A4
SCHEMBL12949629 0.85 PGR (0.45) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13062177 0.85 CYP19A1 (0.47) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13770459 0.85 CYP19A1 (0.47) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13062191 0.82 PGR (0.66) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13013618 0.81 AR (0.69) ARPGRNR3C2
SCHEMBL12942735 0.80 PGR (0.39) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13062172 0.80 AR (0.64) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13797681 0.79 AR (0.40) ARPGRNR3C2MEN1CYP3A4

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.

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