SCHEMBL586255

SCHEMBL586255

CCC(CCCCc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.58
CYP1A2 P05177 1/20 0.53
CA2 P00918 1/20 0.53
MAPK1 P28482 1/20 0.53
CPB2 Q96IY4 2/20 0.50
FOLH1 Q04609 1/20 0.50
PTGES O14684 2/20 0.49
ALOX5 P09917 2/20 0.49
PPARG P37231 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPA1 O75762 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL29650381 0.98 GRIK1 (0.56) GRIK1CYP1A2CA2MAPK1CPB2
SCHEMBL11050992 0.98 GRIK1 (0.56) GRIK1CYP1A2CA2MAPK1CPB2
SCHEMBL1026190 0.95 GRIK1 (0.64) GRIK1CYP1A2CA2MAPK1CPB2
SCHEMBL5510828 0.88 GRIK1 (0.56) GRIK1CPB2FOLH1PTGESALOX5
SCHEMBL585398 0.87 CYP1A2 (0.59) GRIK1CYP1A2CA2MAPK1PPARG
SCHEMBL10869949 0.87 GRIK1 (0.55) GRIK1CPB2PTGESALOX5PPARG
SCHEMBL8845789 0.87 PTGES (0.56) GRIK1CA2MAPK1CPB2PTGES
SCHEMBL11305180 0.87 GRIK1 (0.55) GRIK1CPB2PTGESALOX5PPARG
SCHEMBL355603 0.87 GRIK1 (0.55) GRIK1CPB2PTGESALOX5PPARG
SCHEMBL5385323 0.87 GRIK1 (0.55) GRIK1CPB2PTGESALOX5PPARG

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
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 GRIK1 3356/4885CYP1A2 7/4885CA2 4350/4885

“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.