SCHEMBL19181028

SCHEMBL19181028

COc1ccc(C(=C(CCNC(=O)N2CCCCC2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ NAMPT P43490 1/20 0.48
▸ HPGD P15428 4/20 0.48
▸ PTGS2 P35354 2/20 0.47
▸ PSMB1 P20618 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ PSMB2 P49721 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ ESRRB O95718 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL17506009 1.00 SMN1; SMN2 (0.54) SMN1; SMN2HTTALOX15NAMPTHPGD
SCHEMBL17506001 1.00 SMN1; SMN2 (0.54) SMN1; SMN2HTTALOX15NAMPTHPGD
SCHEMBL19181332 1.00 SMN1; SMN2 (0.54) SMN1; SMN2HTTALOX15NAMPTHPGD
SCHEMBL17506004 0.90 BLM (0.51) SMN1; SMN2NAMPTHPGDPSMB1PSMB5
SCHEMBL17506002 0.90 BLM (0.51) SMN1; SMN2NAMPTHPGDPSMB1PSMB5
SCHEMBL19181382 0.89 ALDH1A1 (0.47) SMN1; SMN2HTTALOX15HPGDPTGS2
SCHEMBL17506006 0.89 ALDH1A1 (0.47) SMN1; SMN2HTTALOX15HPGDPTGS2
SCHEMBL17505998 0.89 ALDH1A1 (0.47) SMN1; SMN2HTTALOX15HPGDPTGS2
SCHEMBL19182066 0.89 ALDH1A1 (0.47) SMN1; SMN2HTTALOX15HPGDPTGS2
SCHEMBL17524123 0.86 ALDH1A1 (0.52) SMN1; SMN2HTTALOX15HPGDPTGS2

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 1 patent. 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

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 3107/4885HTT 1424/4885ALOX15 438/4885

“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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