SCHEMBL4453920

SCHEMBL4453920

O=C(O)CCCOc1cc2c(cc1CC1CCCCC1)CCC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
SLC6A9 P48067 1/20 0.43
FABP3 P05413 3/20 0.41
FABP4 P15090 3/20 0.41
S1PR5 Q9H228 1/20 0.40
PLA2G1B P04054 1/20 0.39
BRD4 O60885 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLA2G2A P14555 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PTGS2 P35354 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL13956439 1.00 PTGDR2 (0.43) PTGDR2SLC6A9FABP3FABP4S1PR5
SCHEMBL13956442 0.88 S1PR5 (0.45) PTGDR2FABP3FABP4S1PR5BRD4
SCHEMBL2929875 0.85 PTGDR2 (0.44) PTGDR2FABP3FABP4S1PR5BRD4
SCHEMBL2932345 0.85 S1PR5 (0.45) PTGDR2FABP3FABP4S1PR5BRD4
SCHEMBL13956432 0.81 PTGDR2 (0.59) PTGDR2SLC6A9FABP3FABP4BRD4
SCHEMBL13971111 0.79 LTB4R (0.44) BRD4TSHRLTB4RLTB4R2
SCHEMBL13956437 0.78 LTB4R (0.41) PTGDR2BRD4LTB4RLTB4R2
SCHEMBL13956434 0.77 LTB4R (0.47) BRD4TSHRLTB4RLTB4R2
SCHEMBL4453277 0.77 LTB4R (0.47) BRD4TSHRLTB4RLTB4R2
SCHEMBL13956440 0.76 MAOA (0.46) S1PR5LTB4RLTB4R2FFAR4

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 PTGDR2 1238/4885SLC6A9 1645/4885FABP3 180/4885

“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.