SCHEMBL4575736

SCHEMBL4575736

CCc1ccccc1-c1cc(F)ccc1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL16741195 0.81 PKM (0.64) PTGDR2PKML3MBTL1GLAPOLB
SCHEMBL4577451 0.80 PTGDR2 (0.56) PTGDR2PKMPOLBSMN1; SMN2
SCHEMBL14277738 0.78 HTT (0.40) PTGDR2L3MBTL1SMN1; SMN2
SCHEMBL266662 0.77 L3MBTL1 (0.72) PTGDR2L3MBTL1GLAPOLBSMN1; SMN2
SCHEMBL21497919 0.77 PKM (0.55) PTGDR2PKML3MBTL1GLAPOLB
SCHEMBL10981134 0.76 PPARG (0.46) PTGDR2PKMSMN1; SMN2
SCHEMBL30537993 0.75 L3MBTL1 (0.59) PTGDR2PKML3MBTL1GLAPOLB
SCHEMBL18045699 0.74 PKM (0.72) PTGDR2PKML3MBTL1GLAPOLB
SCHEMBL7824774 0.73 PKM (0.66) PTGDR2PKML3MBTL1GLAPOLB
SCHEMBL4626659 0.73 PKM (0.66) PTGDR2PKML3MBTL1POLBSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1848687-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006082010-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 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-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT PTGDR2 545/4885PKM 3251/4885L3MBTL1 2543/4885

“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.