SCHEMBL921435

SCHEMBL921435

COCCCCOc1c[c]ccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LTA4H P09960 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL920697 0.98 KCNA3 (0.42) KCNA3CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL1712248 0.98 KCNA3 (0.42) KCNA3CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL919376 0.98 KCNA3 (0.42) KCNA3CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL920281 0.96 CYP1A2 (0.41) KCNA3CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL517096 0.91 PKM (0.38) KCNA3CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL6637667 0.87 CYP1A2 (0.56) CYP1A2CYP2D6MAPK1CYP2C19MEN1
SCHEMBL3163767 0.86 KDM4E (0.41) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL3169298 0.86 KDM4E (0.41) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL532917 0.85 LTA4H (0.53) KCNA3MAPK1ALDH1A1LTA4HLMNA
SCHEMBL5704638 0.84 KCNA3 (0.42) KCNA3MAPK1KDM4EALDH1A1LTA4H

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 11 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
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
US-4795814-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTTS, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
EP-0173126-A1 Process for preparing novel dihydropyridine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 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 KCNA3 2546/4885CYP1A2 2625/4885CYP2D6 4104/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KCNA3 1509/4885CYP1A2 2061/4885CYP2D6 3619/4885

“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.