SCHEMBL921605

SCHEMBL921605

CCOCCCOc1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LTA4H P09960 2/20 0.37
KCNA3 P22001 1/20 0.36
KDM4E B2RXH2 6/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTR1B P28222 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL921651 0.97 SMN1; SMN2 (0.41) SMN1; SMN2LTA4HKCNA3KDM4EPOLB
SCHEMBL921650 0.95 SMN1; SMN2 (0.40) SMN1; SMN2LTA4HKCNA3KDM4EPOLB
SCHEMBL1712440 0.95 SMN1; SMN2 (0.40) SMN1; SMN2LTA4HKCNA3KDM4EPOLB
SCHEMBL920469 0.95 SMN1; SMN2 (0.40) SMN1; SMN2LTA4HKCNA3KDM4EPOLB
SCHEMBL920262 0.91 NCF1 (0.39) SMN1; SMN2LTA4HKDM4EMAPK1TDP1
Water SCHEMBL21708767 0.90 L3MBTL1 (0.40) SMN1; SMN2KDM4EMAPK1TDP1ALDH1A1
SCHEMBL8808954 0.90 L3MBTL1 (0.40) SMN1; SMN2KDM4EMAPK1TDP1ALDH1A1
SCHEMBL10710506 0.88 LTA4H (0.47) SMN1; SMN2LTA4HMAPK1CYP1A2CYP2D6
SCHEMBL6637821 0.88 DRD2 (0.50) SMN1; SMN2KDM4EPOLBMAPK1TDP1
SCHEMBL7284909 0.85 LTA4H (0.41) LTA4HKCNA3TSHRKMT2A

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
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-0190444-B1 OPTICAL-RECORDING MEDIUM BASF Aktiengesellschaft (DE) 1988-09-21 EP disclosed
EP-0190444-A1 Optical-recording medium BASF Aktiengesellschaft (DE) 1986-08-13 EP 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 SMN1; SMN2 4796/4885LTA4H 3410/4885KCNA3 2546/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SMN1; SMN2 4604/4885LTA4H 3981/4885KCNA3 1509/4885

“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.