SCHEMBL921964

SCHEMBL921964

CCCC(C)c1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
POLB P06746 2/20 0.40
MAPK14 Q16539 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
MMP13 P45452 1/20 0.39
TP53 P04637 1/20 0.39
CHRM4 P08173 2/20 0.39
FLT1 P17948 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL922029 0.91 PPARG (0.40) ADORA2AADORA1MAPK14SMN1; SMN2ALDH1A1
SCHEMBL921467 0.89 LIPG (0.41) POLBMAPK14SMN1; SMN2NPC1ALDH1A1
SCHEMBL922073 0.87 ADORA2A (0.43) ADORA2AADORA1POLBMAPK14SMN1; SMN2
SCHEMBL922799 0.87 ADORA2A (0.43) ADORA2AADORA1POLBMAPK14SMN1; SMN2
SCHEMBL920480 0.87 SMN1; SMN2 (0.39) POLBMAPK14SMN1; SMN2NPC1ALDH1A1
SCHEMBL921044 0.86 ALDH1A1 (0.44) ADORA2AADORA1POLBMAPK14ALDH1A1
SCHEMBL921458 0.85 ADORA2A (0.45) ADORA2AADORA1POLBMAPK14SMN1; SMN2
SCHEMBL921155 0.85 ADORA2A (0.47) ADORA2AADORA1POLBMAPK14SMN1; SMN2
SCHEMBL921492 0.85 ADORA2A (0.43) ADORA2AADORA1POLBMAPK14SMN1; SMN2
SCHEMBL922940 0.84 ADORA2A (0.44) ADORA2AADORA1POLBMAPK14SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ADORA2A 4433/4885ADORA1 3433/4885POLB 4159/4885

“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.