SCHEMBL921691

SCHEMBL921691

Cc1cccc(C)c1Oc1ccc(CN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.55
LPAR1 Q92633 3/20 0.48
LPAR5 Q9H1C0 3/20 0.48
MAOB P27338 4/20 0.43
FFAR1 O14842 1/20 0.43
SCN4A P35499 5/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SCN8A Q9UQD0 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
KCNK3 O14649 1/20 0.40
CACNA1F O60840 1/20 0.40
KCNK2 O95069 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL921291 0.85 ST14 (0.52) ST14LPAR1LPAR5MAOBKEAP1
SCHEMBL919518 0.85 ST14 (0.57) ST14LPAR1LPAR5MAOBKEAP1
SCHEMBL16539650 0.82 LTA4H (0.57) LPAR1LPAR5FFAR1SCN8ATSHR
SCHEMBL507354 0.81 ST14 (0.52) ST14LPAR1LPAR5MAOBFFAR1
SCHEMBL16659204 0.79 TEAD4 (0.56) MAOBCYP3A4TSHRMAOA
SCHEMBL4209153 0.78 ST14 (0.85) ST14MAOBKEAP1NFE2L2
SCHEMBL920927 0.77 ST14 (0.68) ST14MAOBKEAP1NFE2L2CYP1A2
SCHEMBL9487846 0.76 LTA4H (0.52) LPAR1LPAR5MAOBFFAR1SCN4A
SCHEMBL29606473 0.75 ST14 (0.65) ST14MAOBKEAP1NFE2L2CYP1A2
SCHEMBL5535849 0.75 AR (0.41) LPAR1LPAR5FFAR1SCN4ASCN8A

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 5 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
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
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
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 ST14 708/4885LPAR1 4369/4885LPAR5 3894/4885

“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.