SCHEMBL17523651

SCHEMBL17523651

CN(C)CCOc1ccc(/C(=C(/CCNC(=O)N2CCCCC2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.60
▸ ESR2 Q92731 3/20 0.60
▸ ESRRB O95718 3/20 0.59
▸ HTR6 P50406 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ESRRG P62508 12/20 0.57
▸ MAPT P10636 3/20 0.56
▸ ESRRA P11474 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ PRKD3 O94806 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ GBA1 P04062 1/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ ERBB2 P04626 1/20 0.56

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
SCHEMBL17523646 1.00 ESR1 (0.60) ESR1ESR2ESRRBHTR6LMNA
SCHEMBL17523648 0.92 ESR1 (0.57) ESR1ESR2ESRRBHTR6LMNA
SCHEMBL17524185 0.90 ESR1 (0.58) ESR1ESR2ESRRBHTR6LMNA
SCHEMBL17524237 0.90 ESR1 (0.58) ESR1ESR2ESRRBHTR6LMNA
SCHEMBL17523658 0.88 ESRRG (0.53) ESR1ESR2ESRRBESRRGNPC1
SCHEMBL17523660 0.88 ESRRG (0.53) ESR1ESR2ESRRBESRRGNPC1
SCHEMBL17506001 0.84 SMN1; SMN2 (0.54) ESRRBLMNAMAPTMEN1KMT2A
SCHEMBL17506009 0.84 SMN1; SMN2 (0.54) ESRRBLMNAMAPTMEN1KMT2A
SCHEMBL19181332 0.84 SMN1; SMN2 (0.54) ESRRBLMNAMAPTMEN1KMT2A
SCHEMBL19181028 0.84 SMN1; SMN2 (0.54) ESRRBLMNAMAPTMEN1KMT2A

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
WO-2016022325-A1 NOVEL TRIARYLETHYLENE COMPOUNDS AND METHODS USING SAME THE PENN STATE RESEARCH FOUNDATION (US) 2016-02-11 — — WO 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 1247/4885ESR2 642/4885ESRRB 116/4885

“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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