SCHEMBL701977

SCHEMBL701977

CCOC(=O)c1cc2c(O)cccc2n1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
F10 P00742 2/20 0.50
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5584948 0.87 F10 (0.47) KDM4ECA12CA1CA2CA7
SCHEMBL5005300 0.84 CA12 (0.53) KDM4ECA12CA1CA2CA7
SCHEMBL699903 0.84 F10 (0.48) KDM4EF10KMT2AGAAMEN1
SCHEMBL6436710 0.79 F10 (0.55) KDM4EF10GAANOD2NOD1
SCHEMBL1570190 0.79 CA1 (0.47) KDM4ECA12CA1CA2CA7
SCHEMBL3259707 0.78 NOD2 (0.71) KDM4EF10KMT2AGAAMEN1
SCHEMBL702060 0.78 F10 (0.48) KDM4EF10KMT2AGAAMEN1
SCHEMBL11621562 0.77 ALDH1A1 (0.48) KDM4EGAANOD2NOD1ALDH1A1
SCHEMBL914734 0.77 CA12 (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL703225 0.77 ALDH1A1 (0.50) KDM4EF10GAANOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT KDM4E 2709/4885CA12 4623/4885CA1 4714/4885

“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.