SCHEMBL9098766

SCHEMBL9098766

NCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 15/20 0.90
▸ CYP19A1 P11511 14/20 0.90
▸ ESR2 Q92731 13/20 0.90
▸ CYP3A4 P08684 3/20 0.70
▸ LMNA P02545 1/20 0.70
▸ HTR6 P50406 1/20 0.70
▸ ESRRG P62508 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2A6 P11509 2/20 0.64
▸ CYP3A5 P20815 2/20 0.64
▸ CYP2D6 P10635 1/20 0.55

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
SCHEMBL9098770 1.00 ESR1 (0.90) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL906293 1.00 ESR1 (0.90) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL28404807 0.95 CYP19A1 (1.00) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL24302096 0.95 CYP19A1 (1.00) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL22995790 0.95 CYP19A1 (1.00) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL17506000 0.91 CYP19A1 (0.78) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL19011568 0.90 HTR6 (0.75) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL17915615 0.90 HTR6 (0.75) ESR1CYP19A1ESR2CYP3A4LMNA
Ospemifene SCHEMBL948118 0.87 LMNA (0.71) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL9098639 0.87 CYP19A1 (0.72) ESR1CYP19A1ESR2CYP3A4ESRRG

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-20170217914-A1 Novel Triarylethylene Compounds and Methods Using Same THE PENN STATE RESEARCH FOUNDATION 2017-08-03 — — US disclosed
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — 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-20170217914-A1 Novel Triarylethylene Compounds and Methods Using Same CYP46A1, GSTA2, GSTA1 ESR1 1247/4885CYP19A1 34/4885ESR2 642/4885

“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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