SCHEMBL2776103

SCHEMBL2776103

COc1cc2c(cc1C)CC=C2C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
S1PR2 O95136 1/20 0.35
GAA P10253 3/20 0.32
HTT P42858 2/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 4/20 0.32
MAOA P21397 1/20 0.32
KDM4A O75164 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2778058 0.84 ALDH1A1 (0.40) HPGDMAPK1S1PR2GAAHTT
SCHEMBL17028333 0.84 HTR2A (0.42)
SCHEMBL1669168 0.72 KDM4E (0.46) HPGDMAPK1S1PR2GAAHTT
SCHEMBL29248724 0.66 MAPT (0.48) GAAALDH1A1MAPTKDM4EMAOA
Acetonitrile SCHEMBL6315753 0.66 TAAR1 (0.47) GAASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL10681803 0.66 KDM4E (0.46) HPGDMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL22953307 0.64 MAPT (0.71) GAASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL12595457 0.64 MAPT (0.71) GAASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL1039728 0.64 AR (0.54) ALDH1A1KDM4EARSRC
SCHEMBL13387367 0.64 ALDH1A1 (0.46) ALDH1A1KDM4ECASP7ARSRC

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-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 US disclosed
EP-1499609-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2005-01-26 EP disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 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-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE HPGD 3508/4885MAPK1 4080/4885S1PR2 3200/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE HPGD 3462/4885MAPK1 4230/4885S1PR2 3176/4885

“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.