SCHEMBL921919

SCHEMBL921919

CCCCCc1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LPL P06858 3/20 0.51
LIPG Q9Y5X9 3/20 0.51
GLA P06280 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6956952 0.98 TSHR (0.58) TSHRHSD17B10LPLLIPGGLA
SCHEMBL921927 0.98 TSHR (0.58) TSHRHSD17B10LPLLIPGGLA
SCHEMBL5319709 0.98 TSHR (0.58) TSHRHSD17B10LPLLIPGGLA
SCHEMBL15173796 0.98 TSHR (0.58) TSHRHSD17B10LPLLIPGGLA
SCHEMBL923530 0.95 GLA (0.49) TSHRHSD17B10LPLLIPGGLA
SCHEMBL28865565 0.91 HTR2B (0.50) GLADRD2DRD3HTR2B
SCHEMBL12619263 0.89 TSHR (0.56) TSHRHSD17B10LPLLIPG
SCHEMBL3799636 0.89 TSHR (0.53) TSHRHSD17B10LPLLIPGDRD2
SCHEMBL24358855 0.89 HTR2B (0.49) TSHRHSD17B10GLAHTR2B
SCHEMBL29732423 0.89 HTR2B (0.49) TSHRHSD17B10GLAHTR2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490292-B1 Electrolyte for a rechargeable lithium battery, and rechargeable lithium battery including the same SAMSUNG SDI CO LTD (KR) 2016-05-04 EP disclosed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
EP-2490292-A1 Electrolyte solvent and electrolyte for rechargeable lithium battery, and rechargeable lithium battery including the same SAMSUNG SDI CO., LTD. (KR) 2012-08-22 EP disclosed
US-20120208080-A1 ELECTROLYTE FOR RECHARGEABLE LITHIUM BATTERY, AND RECHARGEABLE LITHIUM BATTERY INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2012-08-16 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
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 CN disclosed
CN-101321529-A Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD (JP) 2008-12-10 CN disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN 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 TSHR 2588/4885HSD17B10 1285/4885LPL 3971/4885

“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.