SCHEMBL2487768

SCHEMBL2487768

CCCCCCCCC(C#N)(C#N)CCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
FAAH O00519 7/20 0.31
CES1 P23141 5/20 0.31
GGPS1 O95749 4/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FDPS P14324 6/20 0.31

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
SCHEMBL2484932 1.00 CES2 (0.37) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL2487540 1.00 CES2 (0.37) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL2485820 1.00 CES2 (0.37) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL2489307 1.00 CES2 (0.37) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL2490319 1.00 CES2 (0.37) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL2486344 0.98 CES2 (0.34) CES2LPAR1LPAR3TSHR
SCHEMBL2488371 0.92 TSHR (0.32) TSHR
SCHEMBL9453333 0.87 TSHR (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL2486323 0.83
SCHEMBL27908434 0.83 TSHR (0.38) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697311-B1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-7662402-B2 contains fluoroalkyl group; insecticides, miticides, nematocides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
CN-1898200-A Nitrile compound and its pest control use SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1697311-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
WO-2005063694-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-14 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 (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-20070112068-A1 Nitrile compound and its use in pest control C5, C9, C1S CES2 503/4885LPAR1 3800/4885LPAR3 3338/4885

“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.