SCHEMBL921871

SCHEMBL921871

CCCCOc1cccc(Oc2cccc(C#N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
TBXAS1 P24557 1/20 0.48
PLA2G4B P0C869 2/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
TSHR P16473 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
SCHEMBL921023 0.95 LTA4H (0.62) LTA4HCYP11B1CYP11B2TBXAS1ACACB
SCHEMBL1070542 0.94 CYP11B1 (0.55) LTA4HCYP11B1CYP11B2TBXAS1PLA2G4B
SCHEMBL921355 0.91 LTA4H (0.60) LTA4HCYP11B1CYP11B2PLA2G4BACACB
SCHEMBL10289405 0.89 TSHR (0.57) LTA4HCYP11B1CYP11B2TBXAS1PLA2G4B
SCHEMBL25168671 0.88 TSHR (0.59) LTA4HCYP11B1CYP11B2TBXAS1PLA2G4B
SCHEMBL14034743 0.88 TSHR (0.59) LTA4HCYP11B1CYP11B2TBXAS1PLA2G4B
SCHEMBL6957299 0.88 TSHR (0.59) LTA4HCYP11B1CYP11B2TBXAS1PLA2G4B
SCHEMBL6960220 0.88 TSHR (0.59) LTA4HCYP11B1CYP11B2TBXAS1PLA2G4B
SCHEMBL921758 0.86 LTA4H (0.50) LTA4HTBXAS1
SCHEMBL2536496 0.85 KMT2A (0.54) CYP11B1CYP11B2TBXAS1TSHR

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 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.