SCHEMBL500451

SCHEMBL500451

CCCCCCCC/C=C\C(CCC)OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
PRKCA P17252 1/20 0.44
PDE4D Q08499 1/20 0.43
FAAH O00519 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL500452 1.00 MEN1 (0.46) MEN1KMT2ACYP3A4CYP1A2MAPT
SCHEMBL29259205 0.94 MEN1 (0.50) MEN1KMT2ACYP3A4CYP1A2MAPT
SCHEMBL9856232 0.88 PRKCA (0.46) MEN1KMT2ACYP3A4CYP1A2MAPT
SCHEMBL30368256 0.87 GALR3 (0.47) MEN1KMT2APDE4D
SCHEMBL29094957 0.87 MEN1 (0.45) MEN1KMT2ACYP3A4CYP1A2MAPT
SCHEMBL7939398 0.87 PRKCA (0.46) MEN1KMT2ACYP3A4CYP1A2MAPT
SCHEMBL4942566 0.86 GALR3 (0.41) CYP3A4MAPTPDE4DUSP2LMNA
SCHEMBL4942569 0.86 GALR3 (0.41) CYP3A4MAPTPDE4DUSP2LMNA
SCHEMBL11087291 0.86 ALDH1A1 (0.45) MEN1KMT2ACYP3A4MAPTPRKCA
SCHEMBL6350885 0.85 PDE4D (0.42) MEN1KMT2ACYP3A4CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106075-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2012-01-31 US disclosed
US-20080275065-A1 Novel Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 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 (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-20080275065-A1 Novel Insecticides DDT, ACHE, CYP4F11 MEN1 1175/4885KMT2A 3142/4885CYP3A4 25/4885

“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.