SCHEMBL12417023

SCHEMBL12417023

COOCC1COC(C)(C)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAPK14 Q16539 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL9284397 0.83 CA2 (0.58) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL619199 0.83 CA2 (0.58) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL8182426 0.83 CA2 (0.58) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL7875753 0.81 CA2 (0.59) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL619198 0.78 CA2 (0.56) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL220562 0.78 CA2 (0.61) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL220561 0.78 CA2 (0.61) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL10471474 0.78 CA2 (0.56) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL14533189 0.78 CA2 (0.56) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL220873 0.78 CA2 (0.61) CA2ALDH1A1NPSR1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309733-B2 Imino derivatives, methods for producing the same and insecticides containing the same Meji Seika Pharma Co., Ltd. (JP) 2012-11-13 US disclosed
US-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA, LTD. (JP) 2011-07-14 US disclosed
US-20100222218-A1 INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-02 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US 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 (3 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 CA2 1527/4885ALDH1A1 63/4885NPSR1 1770/4885
US-20100222218-A1 INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES DDT, CYCS, DDC CA2 161/4885ALDH1A1 214/4885NPSR1 2867/4885
US-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME CNOT9, CBR1, CBR3 CA2 1302/4885ALDH1A1 1181/4885NPSR1 925/4885

“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.