SCHEMBL3770972

SCHEMBL3770972

CC=CCCCCOc1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
MAOB P27338 2/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PTGIR P43119 1/20 0.39
DHFR P00374 6/20 0.39
PRSS1 P07477 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GGPS1 O95749 1/20 0.39

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
SCHEMBL3764400 0.99 PPARA (0.44) PPARAMAOBTSHRKDM4EALDH1A1
SCHEMBL3770884 0.95 MAOB (0.43) PPARAMAOBTSHRKDM4EALDH1A1
SCHEMBL3763398 0.91 MAOB (0.44) MAOBTSHRKDM4EALDH1A1NOS1
SCHEMBL3769700 0.87 PPARA (0.47) PPARAMAOBTSHRKDM4EALDH1A1
SCHEMBL17138206 0.86 TSHR (0.45) TSHRALDH1A1PRSS1MAPK1
SCHEMBL17138205 0.86 TSHR (0.45) TSHRALDH1A1PRSS1MAPK1
SCHEMBL3660582 0.82 PPARA (0.45) PPARAMAOBTSHRKDM4EALDH1A1
SCHEMBL3770838 0.82 PPARA (0.48) PPARAMAOBTSHRKDM4EALDH1A1
SCHEMBL12408537 0.82 PRSS1 (0.51) MAOBTSHRKDM4EALDH1A1NOS1
SCHEMBL3766432 0.82 GLS (0.42) MAOBTSHRKDM4EALDH1A1NOS1

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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 PPARA 1791/4885MAOB 667/4885TSHR 811/4885

“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.