SCHEMBL2300714

SCHEMBL2300714

O=C=C1CCCCC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 1/20 0.38
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2302542 0.94 SIRT1 (0.33) KDM4EPOLBL3MBTL1MCL1
Piperazine SCHEMBL2427260 0.85 TSHR (0.36)
Piperidine SCHEMBL2428246 0.82 TSHR (0.34) ALDH1A1
SCHEMBL4590212 0.82 SIRT1 (0.35) KDM4EPOLBL3MBTL1MCL1
SCHEMBL27766757 0.79 CES2 (0.37) MCL1MAPK1KMT2AALDH1A1
SCHEMBL2305287 0.77 MAPK1 (0.36) KDM4EPOLBMCL1MAPK1KMT2A
SCHEMBL3553694 0.71 MCL1 (0.60) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL15414620 0.71 KDM4E (0.43) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL612494 0.71 MCL1 (0.60) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL29978857 0.71 KDM4E (0.39) KDM4EPOLBL3MBTL1MCL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 CN claimed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP claimed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US claimed
EP-0337348-A2 Amides of cyclomethylen-1,2-bicarboxylic acids having therapeutical activity, processes for their preparation and pharmaceutical compositions containing them Laboratori Guidotti S.p.A. (IT) 1989-10-18 EP claimed
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-23 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO disclosed
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 CN disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 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 (4 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 KDM4E 3430/4885POLB 3040/4885L3MBTL1 2057/4885
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 KDM4E 3683/4885POLB 3823/4885L3MBTL1 615/4885
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators KEAP1, NFE2L2, HMOX1 KDM4E 3430/4885POLB 3040/4885L3MBTL1 2057/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 KDM4E 3430/4885POLB 3040/4885L3MBTL1 2057/4885

“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.