SCHEMBL1613360

SCHEMBL1613360

COC(=O)c1ccc(/C=C/C(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTPN1 P18031 2/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
TYR P14679 1/20 0.50
APP P05067 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
SCHEMBL1613362 1.00 MAPT (0.56) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL7423972 0.88 CA12 (0.58) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL7423966 0.88 CA12 (0.58) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL13845314 0.87 CA12 (0.53) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL4055668 0.87 CA12 (0.53) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL4055672 0.87 CA12 (0.53) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL11332365 0.85 CA12 (0.68) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL1133144 0.85 CA12 (0.68) MAPTLMNANPC1ALDH1A1MEN1
SCHEMBL4579922 0.84 MAPT (0.54) MAPTALDH1A1KMT2ACA1CA2
SCHEMBL4579930 0.84 MAPT (0.54) MAPTALDH1A1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4074701-B1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEMICAL LTD (KR) 2023-12-13 EP disclosed
US-20230322706-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230322706-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEM, LTD. (KR) 2023-10-12 US disclosed
EP-4206193-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF Lg Chem, Ltd. (KR) 2023-07-05 EP disclosed
WO-2021133038-A1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF 주식회사 엘지화학 2021-07-01 WO disclosed
EP-2907802-B1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP disclosed
US-9751885-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
EP-2907802-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2015-08-19 EP disclosed
EP-2488491-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-8017607-B2 N-substituted-pyrrolidines as inhibitors of MDM2-P-53 interactions HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
WO-2011045257-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS BARTKOVITZ DAVID JOSEPH 2011-04-14 US disclosed
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP 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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 MAPT 1858/4885LMNA 1370/4885NPC1 511/4885
US-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF BHMT, HNMT, KDM1A MAPT 1394/4885LMNA 3916/4885NPC1 1322/4885
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS MDM2, TP53, TP53BP1 MAPT 3638/4885LMNA 2135/4885NPC1 3773/4885
US-20230322706-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF DGAT2, DGAT1, MOGAT2 MAPT 2317/4885LMNA 4043/4885NPC1 299/4885

“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.