SCHEMBL20900686

SCHEMBL20900686

C#CCNC(=O)CCc1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
IAPP P10997 3/20 0.54
MAPT P10636 5/20 0.53
HSD17B10 Q99714 3/20 0.53
TRPV1 Q8NER1 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
BLM P54132 2/20 0.53
HIF1A Q16665 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PTGS1 P23219 1/20 0.53
ALOX12 P18054 1/20 0.49
MAOA P21397 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
APP P05067 1/20 0.48

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
SCHEMBL29550982 0.84 TRPV1 (0.58) ERCC1ERCC4MAPTHSD17B10TRPV1
SCHEMBL19084777 0.83 IAPP (0.63) ERCC1ERCC4IAPPMAPTHSD17B10
SCHEMBL107219 0.81 MAPT (0.71) ERCC1ERCC4MAPTHSD17B10TRPV1
SCHEMBL108102 0.81 ERCC1 (0.82) ERCC1ERCC4IAPPHSD17B10TRPV1
SCHEMBL10029412 0.80 MAPT (0.70) ERCC1ERCC4IAPPMAPTHSD17B10
SCHEMBL15924294 0.79 MAPT (0.61) ERCC1ERCC4MAPTHSD17B10TRPV1
SCHEMBL9444688 0.79 IAPP (0.62) ERCC1ERCC4IAPPMAPTHSD17B10
SCHEMBL18273964 0.79 ERCC1 (0.57) ERCC1ERCC4IAPPMAPTHSD17B10
SCHEMBL18232229 0.78 MTNR1A (0.40) ERCC1ERCC4TRPV1MEN1KMT2A
SCHEMBL21586450 0.78 POLB (0.44) ERCC1ERCC4HSD17B10TRPV1MEN1

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-10259777-B2 (E)-3-(3,4-dihydroxyphenyl)-N-(prop-2-yn-1-yl)acrylamide for treatment of neurodegenerative diseases THE UNIVERSITY OF HONG KONG (CN) 2019-04-16 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-10259777-B2 (E)-3-(3,4-dihydroxyphenyl)-N-(prop-2-yn-1-yl)acrylamide for treatment of neurodegenerative diseases GAP43, BDNF, NEFM ERCC1 3236/4885ERCC4 4321/4885IAPP 24/4885

“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.