SCHEMBL17523633

SCHEMBL17523633

O=C(NCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESRRB O95718 5/20 0.53
▸ GAA P10253 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ ESR1 P03372 9/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ ESRRG P62508 11/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTR6 P50406 1/20 0.45

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
SCHEMBL17506003 0.88 GAA (0.57) ESRRBGAACYP19A1ESR1ESR2
SCHEMBL17523669 0.87 ESRRB (0.65) ESRRBESR1ESR2ESRRGKDM1A
SCHEMBL17523975 0.84 NPC1 (0.59) ESRRBGAAESRRGKDM1ANPC1
SCHEMBL17523667 0.82 CYP19A1 (0.50) ESRRBGAACYP19A1ESR1ESR2
SCHEMBL17523663 0.81 CYP19A1 (0.55) ESRRBGAACYP19A1ESR1ESR2
SCHEMBL17523660 0.80 ESRRG (0.53) ESRRBGAACYP19A1ESR1ESR2
SCHEMBL17523670 0.80 CYP19A1 (0.54) ESRRBGAACYP19A1ESR1ESR2
SCHEMBL17523658 0.80 ESRRG (0.53) ESRRBGAACYP19A1ESR1ESR2
SCHEMBL17523662 0.78 EPHX1 (0.51) GAACYP19A1ESR1ESR2ESRRG
SCHEMBL19182067 0.77 CYP19A1 (0.65) ESRRBGAACYP19A1ESR1ESR2

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 116/4885GAA 253/4885CYP19A1 34/4885

“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.

Send feedback