SCHEMBL3766873

SCHEMBL3766873

C[C@@]12CCC[C@H]1[C@@H]1C=CC3=CCCC(O)[C@@H]3[C@H]1CC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.32
▸ SHBG P04278 1/20 0.32
▸ NR1I3 Q14994 1/20 0.32

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
SCHEMBL1860460 0.73 CYP19A1 (0.33) CYP19A1SHBGNR1I3
SCHEMBL3775777 0.72 SHBG (0.41) CYP19A1SHBGNR1I3
SCHEMBL1865610 0.72 CYP19A1 (0.33) CYP19A1SHBG
SCHEMBL1860492 0.70 CYP19A1 (0.44) CYP19A1SHBG
SCHEMBL9264391 0.68 CYP19A1 (0.35) CYP19A1SHBG
SCHEMBL10437175 0.68 CYP19A1 (0.35) CYP19A1SHBG
SCHEMBL3647267 0.68 AR (0.35) CYP19A1
SCHEMBL13217275 0.68 AR (0.57) CYP19A1SHBG
SCHEMBL1861033 0.68 SHBG (0.34) CYP19A1SHBGNR1I3
SCHEMBL2929841 0.68 AR (0.57) CYP19A1SHBG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034856-B2 17-(1′propenyl)-17-3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 — — US disclosed
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 CYP19A1 2/4885SHBG 6/4885NR1I3 56/4885

“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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