SCHEMBL921874

SCHEMBL921874

CCOc1cccc(Oc2cc[c]cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9488001 0.87 TP53 (0.63) LTA4HTP53CYP3A4ACACBACACA
SCHEMBL5986733 0.85 LTA4H (0.73) LTA4HTP53CYP3A4ACACBACACA
SCHEMBL11745385 0.85 LTA4H (0.73) LTA4HTP53CYP3A4ACACBACACA
SCHEMBL920058 0.85 LTA4H (0.59) LTA4HACACBACACACYP1A2CYP2C19
SCHEMBL921385 0.83 TP53 (0.47) LTA4HTP53CYP3A4ACACBACACA
SCHEMBL920057 0.83 LTA4H (0.63) LTA4HALDH1A1SMN1; SMN2GAAMAPT
1,3-Diethoxybenzene SCHEMBL1100167 0.80 TP53 (0.71) LTA4HTP53CYP3A4MAPK1CYP1A2
SCHEMBL8736875 0.80 LTA4H (0.60) LTA4HTP53CYP3A4ACACBACACA
SCHEMBL919773 0.79 SMN1; SMN2 (0.61) LTA4HCYP3A4ALDH1A1SMN1; SMN2GAA
SCHEMBL534325 0.79 RXRA (0.58) TP53CYP3A4MAPK1ALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3410/4885TP53 3497/4885CYP3A4 3076/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 LTA4H 3981/4885TP53 173/4885CYP3A4 3032/4885

“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.