SCHEMBL4458626

SCHEMBL4458626

CCOC(=O)CCCOc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)CCC2=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.58
BACE1 P56817 1/20 0.40
TRPM2 O94759 1/20 0.40
PDK2 Q15119 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PTPN1 P18031 1/20 0.37
MAOB P27338 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
DGAT1 O75907 1/20 0.37
FAAH O00519 1/20 0.37
ALDH2 P05091 1/20 0.36
PPARD Q03181 2/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL4450728 0.86 FFAR4 (0.44) BACE1MAOBPTGDR2PPARD
SCHEMBL13956446 0.82 FFAR4 (0.44) BACE1MAOBPTGDR2PPARD
SCHEMBL12937753 0.81 BRD4 (0.67) BRD4PDK2ALDH1A1GAAPDE4A
SCHEMBL13956478 0.80 BACE1 (0.41) BRD4BACE1TRPM2MAOBPTGDR2
SCHEMBL4458624 0.79 PPARA (0.44) BACE1PTGDR2PPARD
SCHEMBL4460099 0.79 BRD4 (0.64) BRD4ALDH1A1GAAPDE4APDE4B
SCHEMBL4553004 0.79 BRD4 (0.64) BRD4ALDH1A1GAAPDE4APDE4B
SCHEMBL4447367 0.79 BRD4 (0.64) BRD4PDK2ALDH1A1GAAPDE4A
SCHEMBL13956613 0.78 S1PR5 (0.39) BRD4MAOBPTGDR2
SCHEMBL13956544 0.78 TSHR (0.50) BRD4ALDH1A1PTGDR2

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-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 BRD4 2964/4885BACE1 2810/4885TRPM2 3197/4885

“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.