SCHEMBL3811892

SCHEMBL3811892

Cc1cccc(-c2ccccc2/C=C/C(=O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 10/20 0.50
PTGER2 P43116 10/20 0.50
PTGER4 P35408 8/20 0.50
PTGER1 P34995 6/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NFKB1 P19838 1/20 0.50
CA4 P22748 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL3811894 1.00 PTGER3 (0.50) PTGER3PTGER2PTGER4PTGER1CA1
Hydrochloric Acid SCHEMBL11788949 0.87 CA1 (0.53) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL30560916 0.84 CA1 (0.53) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL691503 0.84 CA1 (0.53) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL690917 0.84 CA1 (0.53) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL9297750 0.84 NFKB1 (0.67) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL3808382 0.81 CCNC (0.47) CA1CA2SMN1; SMN2MAPTKDM4E
SCHEMBL3808384 0.81 CCNC (0.47) CA1CA2SMN1; SMN2MAPTKDM4E
SCHEMBL2425317 0.81 CA1 (0.62) PTGER3PTGER2PTGER4PTGER1CA1
SCHEMBL78556 0.81 CA1 (0.62) PTGER3PTGER2PTGER4PTGER1CA1

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 8 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
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
US-7485752-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2009-02-03 US 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 PTGER3 1557/4885PTGER2 1163/4885PTGER4 1680/4885

“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.