SCHEMBL3812430

SCHEMBL3812430

O=C(O)CCc1cc(F)ccc1OCC1CCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53
FFAR4 Q5NUL3 7/20 0.48
FFAR1 O14842 4/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.44
PTGDR Q13258 1/20 0.43
RBP4 P02753 2/20 0.42
ELANE P08246 1/20 0.42
MAP4K4 O95819 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL25969068 0.81 FFAR4 (0.50) FFAR4FFAR1PTGDRRBP4
SCHEMBL3813636 0.79 PTGDR (0.57) THRATHRBFFAR4FFAR1PTGDR2
SCHEMBL31661793 0.78 THRA (0.67) THRATHRBFFAR4FFAR1PTGDR
SCHEMBL3055708 0.78 THRA (0.67) THRATHRBFFAR4FFAR1PTGDR
SCHEMBL13678976 0.76 PDE4B (0.39) THRATHRBPTGDR
SCHEMBL3813991 0.76 FFAR4 (0.52) FFAR4FFAR1
SCHEMBL28209378 0.76 FFAR4 (0.55) FFAR4FFAR1PTGDR
SCHEMBL29786347 0.75 HTR2C (0.52) PARP10HTR2AHTR2CHTR2B
SCHEMBL20472535 0.75 HTR2C (0.52) PARP10HTR2AHTR2CHTR2B
SCHEMBL18361619 0.75 PDE4B (0.50) FFAR4FFAR1PARP15PARP10HTR2A

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-1881958-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS INC (US) 2009-09-09 EP disclosed
US-7485752-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2009-02-03 US disclosed
EP-1881958-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS F. Hoffmann-Roche AG (CH) 2008-01-30 EP disclosed
WO-2006120125-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-16 WO disclosed
US-20060258740-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-11-16 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-20060258740-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT THRA 2002/4885THRB 1382/4885FFAR4 286/4885

“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.