SCHEMBL17506004

SCHEMBL17506004

COc1ccc(C(=C(CCNC(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.51
▸ HPGD P15428 2/20 0.47
▸ FKBP1A P62942 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ BCL3 P20749 1/20 0.46

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
SCHEMBL17506002 1.00 BLM (0.51) BLMHPGDFKBP1AGAANAMPT
SCHEMBL17506001 0.90 SMN1; SMN2 (0.54) HPGDNAMPTL3MBTL1PSMB1PSMB5
SCHEMBL19181028 0.90 SMN1; SMN2 (0.54) HPGDNAMPTL3MBTL1PSMB1PSMB5
SCHEMBL19181332 0.90 SMN1; SMN2 (0.54) HPGDNAMPTL3MBTL1PSMB1PSMB5
SCHEMBL17506009 0.90 SMN1; SMN2 (0.54) HPGDNAMPTL3MBTL1PSMB1PSMB5
SCHEMBL17505992 0.90 SMN1; SMN2 (0.47) BLMHPGDFKBP1AGAAL3MBTL1
SCHEMBL17505994 0.90 SMN1; SMN2 (0.47) BLMHPGDFKBP1AGAAL3MBTL1
SCHEMBL17523648 0.85 ESR1 (0.57) PSMB1PSMB5MEN1RAB9AKMT2A
SCHEMBL19200748 0.82 SMN1; SMN2 (0.50) HPGDSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL17506006 0.80 ALDH1A1 (0.47) HPGDL3MBTL1PSMB1PSMB5SMN1; SMN2

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 BLM 603/4885HPGD 533/4885FKBP1A 1917/4885

“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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