SCHEMBL5010949

SCHEMBL5010949

CCCC(=O)C(C(=O)O)=C(C)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR3 O14843 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
FAAH O00519 2/20 0.35
ALOX15 P16050 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 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
SCHEMBL20476375 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10FFAR3ALOX15
SCHEMBL23574259 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10FFAR3ALOX15
SCHEMBL20476376 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10FFAR3ALOX15
SCHEMBL166091 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16418222 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5515313 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5515317 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10568559 0.78 CES2 (0.41) CES2CES1ALDH1A1LMNAHSD17B10
SCHEMBL9794499 0.77 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10FAAHALOX15
SCHEMBL9794502 0.77 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10FAAHALOX15

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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2008-01-10 US disclosed
EP-1849765-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-31 EP 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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND TYMS, TYMP, UMPS CES2 2171/4885CES1 2569/4885ALDH1A1 1676/4885

“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.