SCHEMBL17523669

SCHEMBL17523669

CN(C)CCOc1ccc(/C(=C(/CCNC(=O)Oc2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRB O95718 4/20 0.65
▸ ESR1 P03372 9/20 0.65
▸ ESR2 Q92731 2/20 0.65
▸ KDM1A O60341 1/20 0.64
▸ HTR6 P50406 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ESRRG P62508 10/20 0.61
▸ MAPT P10636 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ PRKD3 O94806 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ EGFR P00533 1/20 0.61
▸ GBA1 P04062 1/20 0.61
▸ NR3C1 P04150 1/20 0.61
▸ ERBB2 P04626 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ PRKCG P05129 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61

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
SCHEMBL17523633 0.87 ESRRB (0.53) ESRRBESR1ESR2KDM1AHTR6
SCHEMBL17523650 0.84 ESR1 (0.64) ESRRBESR1ESR2HTR6LMNA
SCHEMBL17523645 0.83 ESR1 (0.62) ESRRBESR1ESR2HTR6LMNA
SCHEMBL17523674 0.83 ESR1 (0.62) ESRRBESR1ESR2HTR6LMNA
SCHEMBL17523975 0.83 NPC1 (0.59) ESRRBKDM1AESRRGNPC1RAB9A
SCHEMBL17523668 0.82 ESR1 (0.61) ESRRBESR1ESR2HTR6LMNA
SCHEMBL17523646 0.82 ESR1 (0.60) ESRRBESR1ESR2HTR6LMNA
SCHEMBL17523651 0.82 ESR1 (0.60) ESRRBESR1ESR2HTR6LMNA
SCHEMBL25236775 0.81 ESR1 (0.74) ESRRBESR1ESR2HTR6LMNA
SCHEMBL25701930 0.81 ESR1 (0.74) ESRRBESR1ESR2HTR6LMNA

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 ESRRB 116/4885ESR1 1247/4885ESR2 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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