SCHEMBL17505992

SCHEMBL17505992

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GAA P10253 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ FKBP1A P62942 2/20 0.45
▸ PSMB1 P20618 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ BCL3 P20749 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MITF O75030 1/20 0.44

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
SCHEMBL17505994 1.00 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AHTTL3MBTL1GAA
SCHEMBL19181382 0.91 ALDH1A1 (0.47) SMN1; SMN2HTTL3MBTL1MAPTHPGD
SCHEMBL17506006 0.91 ALDH1A1 (0.47) SMN1; SMN2HTTL3MBTL1MAPTHPGD
SCHEMBL19182066 0.91 ALDH1A1 (0.47) SMN1; SMN2HTTL3MBTL1MAPTHPGD
SCHEMBL17505998 0.91 ALDH1A1 (0.47) SMN1; SMN2HTTL3MBTL1MAPTHPGD
SCHEMBL17506002 0.90 BLM (0.51) SMN1; SMN2RAB9AL3MBTL1GAAHPGD
SCHEMBL17506004 0.90 BLM (0.51) SMN1; SMN2RAB9AL3MBTL1GAAHPGD
SCHEMBL19200767 0.86 RAB9A (0.50) SMN1; SMN2RAB9AHTTL3MBTL1GAA
SCHEMBL17524186 0.86 ESR1 (0.55) RAB9AMAPTPSMB1PSMB5MEN1
SCHEMBL19181332 0.80 SMN1; SMN2 (0.54) SMN1; SMN2HTTL3MBTL1MAPTHPGD

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 4 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-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
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 SMN1; SMN2 3107/4885RAB9A 2537/4885HTT 1424/4885

“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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