SCHEMBL14715934

SCHEMBL14715934

CCCCCC1OC(=O)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
PRKCA P17252 2/20 0.43
PPARG P37231 2/20 0.40
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
STAT3 P40763 2/20 0.35
DAGLA Q9Y4D2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL14721751 0.82 STAT3 (0.36) CYP1A2PRKCAPPARGSTAT3GRM2
SCHEMBL10938494 0.78
SCHEMBL16150048 0.78 PRKCA (0.33) PRKCA
SCHEMBL5796626 0.73 PRKCA (0.33) PRKCA
SCHEMBL10924201 0.73 MAPT (0.34)
SCHEMBL11019148 0.70 MAOA (0.32)
SCHEMBL6864572 0.70 CYP1A2 (0.43) CYP1A2PRKCAPOLBFASNSTAT3
SCHEMBL9301463 0.69 CYP1A2 (0.70) CYP1A2PPARGALDH1A1GRM2
SCHEMBL713890 0.69 CYP1A2 (0.39) CYP1A2PRKCAMEN1HTTKMT2A
SCHEMBL10073523 0.69 CYP1A2 (0.39) CYP1A2PRKCAMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748353-B1 METHOD FOR THE ELECTROCHEMICAL PRODUCTION OF GAMMA-HYDROXYCARBOXYLIC ESTERS AND GAMMA-LACTONES BASF SE (DE) 2017-04-26 EP disclosed
EP-2748353-A2 METHOD FOR THE ELECTROCHEMICAL PRODUCTION OF -HYDROXYCARBOXYLIC ESTERS AND -LACTONES BASF SE (DE) 2014-07-02 EP disclosed
US-20140100376-A1 PROCESS FOR THE ELECTROCHEMICAL PREPARATION OF GAMMA-HYDROXYCARBOXYLIC ESTERS AND GAMMA-LACTONES BASF SE (DE) 2014-04-10 US disclosed
US-8617376-B2 Process for the electrochemical preparation of gamma-hydroxycarboxylic esters and gamma-lactones BASF SE (DE) 2013-12-31 US disclosed
US-20130053582-A1 PROCESS FOR THE ELECTROCHEMICAL PREPARATION OF GAMMA-HYDROXYCARBOXYLIC ESTERS AND GAMMA-LACTONES BASF SE (DE) 2013-02-28 US disclosed
WO-2013026737-A2 METHOD FOR THE ELECTROCHEMICAL PRODUCTION OF Γ-HYDROXYCARBOXYLIC ESTERS AND Γ-LACTONES BASF SE (DE) 2013-02-28 WO 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 (2 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-20130053582-A1 PROCESS FOR THE ELECTROCHEMICAL PREPARATION OF GAMMA-HYDROXYCARBOXYLIC ESTERS AND GAMMA-LACTONES HBZ, HBG1, EBP CYP1A2 2557/4885PRKCA 35/4885PPARG 293/4885
US-20140100376-A1 PROCESS FOR THE ELECTROCHEMICAL PREPARATION OF GAMMA-HYDROXYCARBOXYLIC ESTERS AND GAMMA-LACTONES HBZ, HBG1, EBP CYP1A2 2557/4885PRKCA 35/4885PPARG 293/4885

“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.