SCHEMBL454667

SCHEMBL454667

Cc1ccc(C(=O)C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.71
ALDH1A1 P00352 5/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
PKM P14618 2/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
NTSR1 P30989 1/20 0.43
SRD5A2 P31213 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL28931648 0.83 CA2 (0.51) CA2ALDH1A1CES2CES1LMNA
Tetrabuthylammonium SCHEMBL28687079 0.83 CA2 (0.51) CA2ALDH1A1CES2CES1LMNA
SCHEMBL16439956 0.81 CA2 (0.68) CA2ALDH1A1CES2CES1LMNA
SCHEMBL1047383 0.80 CA2 (0.67) CA2ALDH1A1CES2CES1LMNA
SCHEMBL29137247 0.78 CA2 (0.64) CA2ALDH1A1CES2CES1LMNA
SCHEMBL29035942 0.78 CA2 (0.64) CA2ALDH1A1CES2CES1LMNA
SCHEMBL1645835 0.78 CES1 (0.64) CA2ALDH1A1CES2CES1SMN1; SMN2
SCHEMBL15851476 0.78 CA2 (0.64) CA2ALDH1A1CES2CES1LMNA
SCHEMBL11982629 0.78 CA2 (0.63) CA2ALDH1A1CES2CES1LMNA
SCHEMBL28353006 0.77 CA2 (0.62) CA2ALDH1A1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445939-B1 CURING COMPOSITIONS FOR FLUOROPOLYMERS 3M INNOVATIVE PROPERTIES CO (US) 2020-09-23 EP claimed
EP-1824918-B1 CURING COMPOSITIONS FOR FLUOROPOLYMERS 3M INNOVATIVE PROPERTIES CO (US) 2008-12-03 EP claimed
EP-2445939-B1 CURING COMPOSITIONS FOR FLUOROPOLYMERS 3M INNOVATIVE PROPERTIES CO (US) 2020-09-23 EP disclosed
US-20160115294-A1 CURATIVE COMPOSITIONS, FLUOROPOLYMER COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2016-04-28 US disclosed
US-20150087863-A1 CURING COMPOSITION FOR FLUOROPOLYMERS 3M INNOVATIVE PROPERTIES CO (US) 2015-03-26 US disclosed
US-8906821-B2 Curing compositions for fluoropolymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-12-09 US disclosed
EP-2445939-A2 CURING COMPOSITIONS FOR FLUOROPOLYMERS 3M Innovative Properties Company (US) 2012-05-02 EP disclosed
US-20120065321-A1 CURING COMPOSITIONS FOR FLUOROPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-15 US disclosed
WO-2010151610-A2 CURING COMPOSITIONS FOR FLUOROPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-12-29 WO disclosed
US-7655591-B2 Catalyst for making fluoroelastomer compositions and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-02 US disclosed
US-20080033145-A1 Catalyst for Making Fluoroelastomer Compositions and Methods of Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2008-02-07 US disclosed
US-7294677-B2 Catalyst for making fluoroelastomer compositions and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-11-13 US disclosed
US-20070049698-A1 Catalyst for making fluoroelastomer compositions and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY 2007-03-01 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-20120065321-A1 CURING COMPOSITIONS FOR FLUOROPOLYMERS POLQ, QPCTL, NQO2 CA2 3463/4885ALDH1A1 1378/4885CES2 405/4885

“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.