SCHEMBL3283564

SCHEMBL3283564

O=C(CBr)OCCCCOC(=O)CBr

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.55
TRPA1 O75762 2/20 0.55
FAAH O00519 2/20 0.52
NAAA Q02083 1/20 0.46
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2C P28335 1/20 0.36
DGKA P23743 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL11791714 0.97 CYP2C19 (0.56) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL21883835 0.97 CYP2C19 (0.56) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL1848803 0.94 CYP2C19 (0.58) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL6488908 0.92 CYP2C19 (0.52) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL28704524 0.90 CYP2C19 (0.50) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL28686531 0.88 FAAH (0.48) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL21069032 0.88 FAAH (0.48) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL10472630 0.88 FAAH (0.69) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL1434603 0.88 CYP2C19 (0.64) CYP2C19L3MBTL1ALDH1A1TRPA1FAAH
SCHEMBL11804455 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
US-9382433-B2 Ketocoumarins as photoinitiators and photosensitizers in printing inks and coatings SUN CHEMICAL CORPORATION (US) 2016-07-05 US disclosed
US-9382433-B2 Ketocoumarins as photoinitiators and photosensitizers in printing inks and coatings SUN CHEMICAL CORPORATION (US) 2016-07-05 US disclosed
US-20150210869-A1 KETOCOUMARINS AS PHOTOINITIATORS AND PHOTOSENSITIZERS IN PRINTING INKS AND COATINGS SUN CHEMICAL CORPORATION (US) 2015-07-30 US disclosed
US-20150210869-A1 KETOCOUMARINS AS PHOTOINITIATORS AND PHOTOSENSITIZERS IN PRINTING INKS AND COATINGS SUN CHEMICAL CORPORATION (US) 2015-07-30 US disclosed
US-7700560-B2 Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-20 US disclosed
US-7671081-B2 Multifunctional cationic photoinitiators, their preparation and use SUN CHEMICAL CORPORATION (US) 2010-03-02 US disclosed
US-7598401-B2 Multifunctional cationic photoinitiators, their preparation and use SUN CHEMICAL CORPORATION (US) 2009-10-06 US disclosed
US-20090023829-A1 MULTIFUNCTIONAL CATIONIC PHOTOINITIATORS, THEIR PREPARATION AND USE SUN CHEMICAL CORPORATION (US) 2009-01-22 US disclosed
US-20080081917-A1 MULTIFUNCTIONAL CATIONIC PHOTOINITIATORS, THEIR PREPARATION AND USE SUN CHEMICAL CORPORATION (US) 2008-04-03 US disclosed
US-7294723-B2 Multifunctional cationic photoinitiators, their preparation and use SUN CHEMICAL CORPORATION (US) 2007-11-13 US disclosed
US-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2007-06-07 US disclosed
EP-1628999-A4 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIV MARYLAND (US) 2006-08-23 EP disclosed
EP-1628999-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH University of Maryland, Baltimore County (US) 2006-03-01 EP disclosed
WO-2005007079-A2 INACTIVATORS AND BIVALENT INHIBITORS OF GLYOXALASE I AND METHODS OF INHIBITING TUMOR GROWTH UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2005-01-27 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-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth GLS, GLO1, GLRX3 CYP2C19 1331/4885L3MBTL1 1071/4885ALDH1A1 706/4885
US-20150210869-A1 KETOCOUMARINS AS PHOTOINITIATORS AND PHOTOSENSITIZERS IN PRINTING INKS AND COATINGS KDM6A, HCCS, KDM3A CYP2C19 104/4885L3MBTL1 1809/4885ALDH1A1 286/4885
US-20080081917-A1 MULTIFUNCTIONAL CATIONIC PHOTOINITIATORS, THEIR PREPARATION AND USE CNKSR1, YWHAZ, YWHAH CYP2C19 381/4885L3MBTL1 1868/4885ALDH1A1 1453/4885
US-20090023829-A1 MULTIFUNCTIONAL CATIONIC PHOTOINITIATORS, THEIR PREPARATION AND USE YWHAZ, PYM1, CNKSR1 CYP2C19 327/4885L3MBTL1 1538/4885ALDH1A1 1475/4885

“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.