SCHEMBL921792

SCHEMBL921792

CCCCc1cc[c]c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
TYR P14679 1/20 0.35
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL921132 0.94 PTGS2 (0.41) ALDH1A1HSD17B10LPLLIPGCYP3A4
SCHEMBL920979 0.93 PTGS2 (0.43) ALDH1A1HSD17B10LPLLIPGCYP3A4
SCHEMBL27327336 0.93 PTGS2 (0.43) ALDH1A1HSD17B10LPLLIPGCYP3A4
SCHEMBL27304383 0.93 PTGS2 (0.43) ALDH1A1HSD17B10LPLLIPGCYP3A4
SCHEMBL27305339 0.93 PTGS2 (0.43) ALDH1A1HSD17B10LPLLIPGCYP3A4
SCHEMBL922743 0.93 PTGS2 (0.43) ALDH1A1HSD17B10LPLLIPGCYP3A4
SCHEMBL27324194 0.93 PTGS2 (0.43) ALDH1A1HSD17B10LPLLIPGCYP3A4
SCHEMBL921205 0.88 CNR1 (0.39) NPC1RAB9AHSD17B10CA2LPL
SCHEMBL28205369 0.81 ALDH1A1 (0.33) MAPK1ALDH1A1CA2CYP3A4
SCHEMBL15066937 0.80 SKP2 (0.44) SKP2HPGDNPC1MAPK1HTT

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
CN-101094848-B Organic compounds NOVARTIS AG 2013-03-13 CN disclosed
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-101460479-A 3-(pyridin-2-yl)-[1,2,4]-triazines for use as fungicides BASF SE (DE) 2009-06-17 CN disclosed
CN-101460475-A 2- (pyridin-2-yl) -pyrimidines as fungicides BASF SE (DE) 2009-06-17 CN disclosed
WO-2007039145-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZINYL-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
US-5166377-A Thromboxane A2 antagonist as coagulants or vasoconstrictors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
CN-1035107-A FLUORINATED OLIGOPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 1989-08-30 CN disclosed
US-4567197-A THORMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-28 US 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 SKP2 2355/4885HPGD 1273/4885NPC1 2077/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SKP2 626/4885HPGD 1474/4885NPC1 2110/4885

“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.