SCHEMBL4450867

SCHEMBL4450867

CCOC(=O)CCc1ccc(OC)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
STING1 Q86WV6 2/20 0.49
DRD2 P14416 1/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
LMNA P02545 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TNF P01375 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL17295176 0.89 CYP4F2 (0.55) CYP4F2CYP4A11STING1DRD2ABL1
SCHEMBL3686214 0.87 HDAC1 (0.51) ABL1RIN1ALDH1A1KMT2AMEN1
SCHEMBL491276 0.87 CYP4F2 (0.59) CYP4F2CYP4A11DRD2KMT2AMEN1
SCHEMBL2632416 0.85 CYP4F2 (0.58) CYP4F2CYP4A11DRD2ALDH1A1KMT2A
SCHEMBL8984891 0.85 CYP4F2 (0.58) CYP4F2CYP4A11DRD2KMT2ASMN1; SMN2
SCHEMBL134808 0.85 ABL1 (0.59) DRD2ABL1RIN1ALDH1A1SMN1; SMN2
SCHEMBL6494445 0.84 CYP4F2 (0.54) CYP4F2CYP4A11DRD2KMT2ASMN1; SMN2
SCHEMBL2432179 0.84 CYP4F2 (0.56) CYP4F2CYP4A11DRD2KMT2ASMN1; SMN2
SCHEMBL491225 0.84 CYP19A1 (0.60) CYP4F2CYP4A11KMT2AMEN1SMN1; SMN2
SCHEMBL3889213 0.84 CYP4F2 (0.50) CYP4F2CYP4A11KMT2AMEN1HDAC1

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 CYP4F2 630/4885CYP4A11 116/4885STING1 2118/4885

“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.