SCHEMBL921355

SCHEMBL921355

CCCCOc1cccc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PLA2G4B P0C869 2/20 0.46
MAPT P10636 1/20 0.46
CYP19A1 P11511 1/20 0.45
TSHR P16473 1/20 0.45
CACNA1B Q00975 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL921871 0.91 LTA4H (0.56) LTA4HCYP11B1CYP11B2ACACBACACA
SCHEMBL921023 0.89 LTA4H (0.62) LTA4HCYP11B1CYP11B2ACACBACACA
SCHEMBL923351 0.88 LTA4H (0.58) LTA4HCYP11B1CYP11B2ACACBACACA
SCHEMBL9487103 0.85 LTA4H (0.68) LTA4HACACBACACAKDM4EALDH1A1
SCHEMBL1070542 0.84 CYP11B1 (0.55) LTA4HCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL12967962 0.84 LTA4H (0.79) LTA4HACACBACACAKDM4EALDH1A1
Benzene SCHEMBL27950709 0.84 LTA4H (0.60) LTA4HCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL4942100 0.83 ALDH1A1 (0.59) LTA4HKDM4EALDH1A1HPGDHTT
SCHEMBL10927383 0.83 CYP19A1 (0.59) KDM4EALDH1A1MAPTCYP19A1SMN1; SMN2
SCHEMBL923901 0.82 LTA4H (0.61) LTA4HCYP11B1CYP11B2KDM4EALDH1A1

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 4 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
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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO 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 LTA4H 3410/4885CYP11B1 1179/4885CYP11B2 1349/4885

“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.