SCHEMBL919504

SCHEMBL919504

CCOCCCCOc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KCNA3 P22001 1/20 0.41
NR5A1 Q13285 1/20 0.40
NQO1 P15559 1/20 0.39
LTA4H P09960 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
THRA P10827 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 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
SCHEMBL919784 0.98 NR5A1 (0.43) ALDH1A1KDM4ESMN1; SMN2KCNA3NR5A1
SCHEMBL921599 0.98 NR5A1 (0.43) ALDH1A1KDM4ESMN1; SMN2KCNA3NR5A1
SCHEMBL920256 0.98 NR5A1 (0.43) ALDH1A1KDM4ESMN1; SMN2KCNA3NR5A1
SCHEMBL920395 0.96 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2KCNA3NR5A1
SCHEMBL322236 0.90 THRA (0.44) ALDH1A1KDM4ESMN1; SMN2NQO1L3MBTL1
SCHEMBL2457210 0.88 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2NQO1L3MBTL1
SCHEMBL991126 0.86 NR5A1 (0.52) ALDH1A1SMN1; SMN2NR5A1LTA4HTP53
SCHEMBL7276161 0.85 NR5A1 (0.55) ALDH1A1SMN1; SMN2NR5A1LTA4HGAA
SCHEMBL7861362 0.85 NR5A1 (0.55) ALDH1A1SMN1; SMN2NR5A1LTA4HGAA
SCHEMBL60563 0.83 NR5A1 (0.57) NR5A1LTA4HGAATP53TSHR

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 7 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
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 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 (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 ALDH1A1 2743/4885KDM4E 3657/4885SMN1; SMN2 4796/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885KDM4E 3733/4885SMN1; SMN2 4604/4885

“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.