SCHEMBL2393671

SCHEMBL2393671

Cc1cccc(C)c1OCC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL853546 0.86 MAPT (0.50) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2393841 0.85 MAPT (0.51) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2393595 0.85 LMNA (0.51) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2398594 0.82 MAPT (0.67) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9786979 0.81 NPC1 (0.44) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL830740 0.81 KMT2A (0.60) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5770727 0.80 L3MBTL1 (0.60) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29620411 0.79 L3MBTL1 (0.58) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14499026 0.79 KMT2A (0.57) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14075278 0.79 MEN1 (0.71) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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-2836497-B1 CATALYST COMPOUNDS UNIV LIVERPOOL (GB) 2016-03-23 EP disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
WO-2013153407-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 WO disclosed
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 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-20150080592-A1 CATALYST COMPOUNDS IDH3B, IDH2, NQO1 KMT2A 1132/4885NPC1 2868/4885RAB9A 857/4885

“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.