SCHEMBL923901

SCHEMBL923901

CCCOc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.61
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
CACNA1B Q00975 2/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP2 P08253 2/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PGR P06401 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP19A1 P11511 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3276405 0.94 ALDH1A1 (0.58) LTA4HALDH1A1MAPTKDM4EHPGD
SCHEMBL12736275 0.89 MMP2 (0.60) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL2462665 0.89 MMP2 (0.60) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL4942100 0.86 ALDH1A1 (0.59) LTA4HALDH1A1MAPTKDM4EHPGD
SCHEMBL9723672 0.85 LTA4H (0.79) LTA4HMAPTHPGDL3MBTL1MEN1
SCHEMBL921673 0.84 LTA4H (0.61) LTA4HALDH1A1MAPTCACNA1BKDM4E
SCHEMBL8521292 0.82 ALDH1A1 (0.65) LTA4HALDH1A1MAPTKDM4EHPGD
Benzene SCHEMBL27950709 0.82 LTA4H (0.60) LTA4HALDH1A1MAPTKDM4EHPGD
SCHEMBL10570506 0.82 TSHR (0.61) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL921355 0.82 LTA4H (0.60) LTA4HALDH1A1MAPTCACNA1BKDM4E

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
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
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 3410/4885ALDH1A1 2743/4885MAPT 695/4885

“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.