SCHEMBL2778058

SCHEMBL2778058

COc1cc2c(cc1C)CCC=C2C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
MAOA P21397 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 4/20 0.39
MAPK1 P28482 2/20 0.39
S1PR2 O95136 1/20 0.39
ALOX15 P16050 2/20 0.35
KDM4A O75164 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCB1 P08183 1/20 0.34
MPO P05164 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 2/20 0.31
ALOX12 P18054 1/20 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
SCHEMBL1669168 0.89 KDM4E (0.46) ALDH1A1KDM4EMAPTMAOAGAA
SCHEMBL2776103 0.84 HPGD (0.35) ALDH1A1KDM4EMAPTMAOAGAA
SCHEMBL9448317 0.77 KDM4E (0.43) KDM4EMAPTMAPK1HSD17B10MEN1
SCHEMBL5981019 0.74 MPO (0.48) ALDH1A1KDM4EMAPTMAOAABCB1
SCHEMBL8791849 0.74 MPO (0.59) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL17028333 0.69 HTR2A (0.42)
SCHEMBL10835651 0.69 KDM4E (0.38) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL21360714 0.68 MAOA (0.56) ALDH1A1KDM4EMAPTMAOAGAA
SCHEMBL10751721 0.68 SMN1; SMN2 (0.33) ALDH1A1KDM4EMAPTALOX15CASP1
SCHEMBL9448055 0.68 SIGMAR1 (0.41) ALDH1A1KDM4EMAPTABCB1

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 ALDH1A1 4036/4885KDM4E 3146/4885MAPT 1462/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE ALDH1A1 3938/4885KDM4E 3256/4885MAPT 1775/4885

“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.