SCHEMBL2778087

SCHEMBL2778087

COc1ccc(OCCC#N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
AR P10275 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ICMT O60725 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL10746305 0.87 CA2 (0.52) GAAKMT2AARPDE4APDE4B
SCHEMBL29640645 0.84 GAA (0.44) GAAKMT2ATDP1MAPTAR
SCHEMBL23362964 0.84 GAA (0.44) GAAKMT2ATDP1MAPTAR
SCHEMBL17223747 0.83 ALDH1A1 (0.48) GAAKMT2ATDP1MAPTAR
SCHEMBL3725432 0.83 GAA (0.49) GAAKMT2ATDP1MAPTL3MBTL1
SCHEMBL4187263 0.81 PPARD (0.53) GAAKMT2ATDP1HSD17B10ALDH1A1
SCHEMBL16866482 0.80 TUBB4A (0.50) GAATDP1MAPTL3MBTL1ALDH1A1
SCHEMBL14747874 0.78 TAAR1 (0.46) TDP1MAPTL3MBTL1PPARGPPARD
SCHEMBL1810628 0.77 GAA (0.58) GAAKMT2ATDP1MAPTL3MBTL1
SCHEMBL26834354 0.77 TDP1 (0.44) TDP1MAPTL3MBTL1ALDH1A1PPARG

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 GAA 4033/4885KMT2A 3878/4885TDP1 863/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE GAA 4247/4885KMT2A 3837/4885TDP1 848/4885

“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.