SCHEMBL4576145

SCHEMBL4576145

O=C(O)COc1ccccc1C1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.97
PTGDR Q13258 6/20 0.65
PTGER2 P43116 1/20 0.63
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTPN1 P18031 1/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 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
SCHEMBL4883839 0.98 PTGDR2 (1.00) PTGDR2PTGDRPTGER2POLBSMN1; SMN2
SCHEMBL6025991 0.86 PTGDR2 (0.74) PTGDR2PTGDRPTGER2POLBSMN1; SMN2
SCHEMBL4886140 0.81 PTGDR2 (1.00) PTGDR2PTGDRPTGER2PTPN1HTR1A
SCHEMBL4879219 0.79 PTGDR2 (1.00) PTGDR2PTGDRPTGER2TDP1
SCHEMBL21095340 0.79 PTGDR2 (0.92) PTGDR2PTGDRPTGER2PTPN1HTR1A
SCHEMBL28006501 0.78 PTGDR2 (0.62) PTGDR2PTGDRPTGER2HTR1DHTR1B
SCHEMBL4888054 0.78 PTGDR2 (1.00) PTGDR2PTGDRPTGER2TDP1
SCHEMBL4882946 0.78 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4883828 0.78 PTGDR2 (1.00) PTGDR2PTGDRPTGER2HPGD
SCHEMBL4882270 0.78 PTGDR2 (1.00) PTGDR2PTGDRPTGER2

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 545/4885PTGDR 651/4885PTGER2 1072/4885

“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.