SCHEMBL4448976

SCHEMBL4448976

C=C1CCc2cc(CCCCCC)c(OCCCC(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CNR2 P34972 6/20 0.41
CNR1 P21554 6/20 0.41
LTB4R Q15722 8/20 0.41
LTB4R2 Q9NPC1 6/20 0.40
SCD O00767 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PPARA Q07869 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4450027 0.88 BRD4 (0.44) CNR2CNR1PPARA
SCHEMBL13956434 0.88 LTB4R (0.47) TSHRCNR2CNR1LTB4RLTB4R2
SCHEMBL4453277 0.88 LTB4R (0.47) TSHRCNR2CNR1LTB4RLTB4R2
SCHEMBL4445408 0.85 TSHR (0.41) TSHRCNR2CNR1LTB4RLTB4R2
SCHEMBL4445414 0.85 TSHR (0.41) TSHRCNR2CNR1LTB4RLTB4R2
SCHEMBL4450025 0.84 TSHR (0.36) TSHRCNR2CNR1PPARA
SCHEMBL4450879 0.83 LTB4R (0.52) TSHRCNR2CNR1LTB4RLTB4R2
SCHEMBL4450768 0.83 LTB4R (0.49) TSHRCNR2CNR1LTB4RLTB4R2
SCHEMBL13971111 0.83 LTB4R (0.44) TSHRLTB4RLTB4R2
SCHEMBL4450029 0.82 CYSLTR2 (0.36) TSHRCNR2CNR1LTB4RLTB4R2

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 TSHR 53/4885CNR2 178/4885CNR1 108/4885

“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.