SCHEMBL6010384

SCHEMBL6010384

CCCCCC[C@@H]1/C=C/[C@@H](O)CCCCCCCC(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
CYP1A2 P05177 3/20 0.47
PRKCA P17252 5/20 0.36
DNTT P04053 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
GRM2 Q14416 2/20 0.33

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
SCHEMBL12474812 0.80 PPARG (0.54) PPARGCYP1A2PRKCA
SCHEMBL12474810 0.80 PPARG (0.54) PPARGCYP1A2PRKCA
SCHEMBL7054077 0.79 CYP1A2 (0.44) PPARGCYP1A2PRKCADNTTGRM2
SCHEMBL31493319 0.79 CYP1A2 (0.44) PPARGCYP1A2PRKCADNTTGRM2
SCHEMBL6118924 0.75 CYP1A2 (0.76) PPARGCYP1A2PRKCAGRM2
SCHEMBL15655925 0.75 CYP1A2 (0.76) PPARGCYP1A2PRKCAGRM2
SCHEMBL17848887 0.75 CYP1A2 (0.76) PPARGCYP1A2PRKCAGRM2
SCHEMBL15657520 0.75 CYP1A2 (0.76) PPARGCYP1A2PRKCAGRM2
SCHEMBL15655829 0.75 CYP1A2 (0.76) PPARGCYP1A2PRKCAGRM2
SCHEMBL6118667 0.75 CYP1A2 (0.76) PPARGCYP1A2PRKCAGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004107-A1 Method for designing a pharmaceutical compound specific to a desired receptor, a designed compound thereby, and pharmaceutical compositions containing the same OJIMA MASANORI 2006-01-05 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-20060004107-A1 Method for designing a pharmaceutical compound specific to a desired receptor, a designed compound thereby, and pharmaceutical compositions containing the same TBXA2R, PTAFR, PTGIR PPARG 292/4885CYP1A2 1175/4885PRKCA 1488/4885

“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.