SCHEMBL3884471

SCHEMBL3884471

CCC(C)C(=CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 0.30
GABRR1 P24046 2/20 0.30
CYP1A2 P05177 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
SCHEMBL10451868 0.83 ITGB1 (0.36) FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL3901087 0.83 ITGB1 (0.36) FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL93072 0.83 FOLH1 (0.35) FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL813214 0.83 ITGB1 (0.36) FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL6000457 0.79 GRIK1 (0.38)
SCHEMBL3898740 0.79 KDM4E (0.33)
SCHEMBL7559349 0.79 GRIK1 (0.38)
SCHEMBL9813168 0.79 CA1 (0.44)
SCHEMBL28889731 0.77
SCHEMBL4594766 0.76 CYP2C9 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
EP-1571165-B1 Compositions for the preparation of hydrophobic coatings TOFFANO LORENZO (IT) 2009-01-07 EP disclosed
EP-1571165-A1 Compositions for the preparation of hydrophobic coatings Toffano, Lorenzo (IT) 2005-09-07 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-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B FOLH1 486/4885NAALAD2 473/4885GABRR1 4534/4885

“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.