SCHEMBL13062171

SCHEMBL13062171

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP19A1 P11511 1/20 0.34
▸ AKR1C3 P42330 3/20 0.32
▸ NR3C2 P08235 2/20 0.32
▸ AR P10275 2/20 0.32
▸ PGR P06401 1/20 0.32
▸ HSD17B2 P37059 1/20 0.31

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
SCHEMBL13770459 0.88 CYP19A1 (0.47) MEN1KMT2ACYP19A1NR3C2AR
SCHEMBL13062177 0.88 CYP19A1 (0.47) MEN1KMT2ACYP19A1NR3C2AR
SCHEMBL13062439 0.85 PGR (0.35) MEN1KMT2ANR3C2ARPGR
SCHEMBL13062496 0.81 PGR (0.47) CYP19A1NR3C2ARPGR
SCHEMBL12942727 0.79 PGR (0.39) ARPGR
SCHEMBL16715970 0.79 AR (0.56) NR3C2ARPGR
SCHEMBL13062180 0.78 PGR (0.47) MEN1KMT2AAKR1C3NR3C2AR
SCHEMBL13062168 0.78 PGR (0.36) MEN1KMT2AAKR1C3ARPGR
SCHEMBL13062179 0.76 AR (0.50) NR3C2ARPGR
SCHEMBL13062202 0.76 AR (0.54) NR3C2ARPGR

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 MEN1 618/4885KMT2A 2650/4885CYP19A1 2/4885

“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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