SCHEMBL4450728

SCHEMBL4450728

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.44
BACE1 P56817 1/20 0.44
PTGDR2 Q9Y5Y4 6/20 0.43
S1PR5 Q9H228 1/20 0.43
LTB4R Q15722 2/20 0.42
FFAR1 O14842 3/20 0.42
CYP2C9 P11712 1/20 0.41
SCN5A Q14524 1/20 0.41
MAOB P27338 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PPARD Q03181 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL13956446 0.96 FFAR4 (0.44) FFAR4BACE1PTGDR2S1PR5LTB4R
SCHEMBL13956613 0.91 S1PR5 (0.39) FFAR4PTGDR2S1PR5LTB4RFFAR1
SCHEMBL13956431 0.89 PTGDR2 (0.45) PTGDR2S1PR5LTB4RRXRARXRB
SCHEMBL13956546 0.88 FFAR4 (0.54) FFAR4FFAR1CYP2C9SCN5AMAOB
SCHEMBL4458626 0.86 BRD4 (0.58) BACE1PTGDR2MAOBPPARD
SCHEMBL13956544 0.86 TSHR (0.50) FFAR4PTGDR2LTB4RFFAR1
SCHEMBL13956551 0.86 FABP4 (0.47) FFAR4PTGDR2LTB4RFFAR1CYP2C9
SCHEMBL13956445 0.85 PTGDR2 (0.45) PTGDR2S1PR5LTB4RRXRARXRB
SCHEMBL13956581 0.84 FFAR4 (0.44) FFAR4PTGDR2FFAR1
SCHEMBL13956550 0.84 BRD4 (0.47) FFAR4BACE1PTGDR2LTB4RFFAR1

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 5 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
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 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 (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 FFAR4 27/4885BACE1 2810/4885PTGDR2 1238/4885

“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.