SCHEMBL3775414

SCHEMBL3775414

CCCC=CCCOc1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
PPARA Q07869 2/20 0.43
TSHR P16473 1/20 0.42
DHFR P00374 9/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
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
SCHEMBL3770838 0.93 PPARA (0.48) MAOBPPARATSHRDHFRKDM4E
SCHEMBL3764368 0.91 PPARA (0.50) MAOBPPARATSHRDHFRGGPS1
SCHEMBL3657459 0.91 MAOB (0.43) MAOBPPARATSHRDHFRKDM4E
SCHEMBL3771346 0.88 AOC3 (0.44) MAOBPPARADHFRNOS1NOS2
SCHEMBL3763398 0.86 MAOB (0.44) MAOBTSHRDHFRKDM4EALDH1A1
SCHEMBL17138141 0.85 TSHR (0.46) PPARATSHR
SCHEMBL17138142 0.85 TSHR (0.46) PPARATSHR
SCHEMBL2538910 0.84 DHFR (0.54) MAOBTSHRDHFRKDM4EALDH1A1
SCHEMBL3660582 0.84 PPARA (0.45) MAOBPPARATSHRDHFRKDM4E
SCHEMBL3769700 0.82 PPARA (0.47) MAOBPPARATSHRDHFRKDM4E

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 MAOB 667/4885PPARA 1791/4885TSHR 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.