SCHEMBL2355971

SCHEMBL2355971

O=c1c(-c2ccccc2)c(Br)oc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.65
CA2 P00918 7/20 0.65
KDM4E B2RXH2 4/20 0.53
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAOA P21397 2/20 0.53
GLA P06280 1/20 0.53
PGAM1 P18669 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.51
CA12 O43570 2/20 0.51
TP53 P04637 2/20 0.51
ABCB1 P08183 2/20 0.51
AR P10275 2/20 0.51
CYP1B1 Q16678 2/20 0.51

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
SCHEMBL11663639 0.85 CA1 (0.49) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL7703075 0.80 PLA2G2A (0.73) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL27839378 0.79 CA1 (0.41) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL9311 0.79 CA1 (0.56) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL4261482 0.79 CA1 (1.00) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL2318320 0.79 CA1 (0.65) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL27522930 0.79 CA1 (0.65) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL11212 0.79 KDM4E (0.68) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL8665 0.78 CA1 (0.59) CA1CA2KDM4ECYP3A4ALDH1A1
SCHEMBL693914 0.78 KMT2A (0.69) CA1CA2KDM4ECYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414743-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-9556382-B2 Polymerisable mixtures and the use thereof in liquid crystal displays MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-9279082-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2016-03-08 US disclosed
CN-103025773-B Polymerizable mixture and use thereof in liquid crystal displays MERCK PATENT GMBH 2015-07-15 CN disclosed
EP-2665798-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-10-08 EP disclosed
CN-102197109-B Liquid crystal display MERCK PATENT GMBH 2014-05-14 CN disclosed
EP-2665798-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2013-11-27 EP disclosed
US-8592007-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2013-11-26 US disclosed
US-20130308081-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-20130114010-A1 POLYMERISABLE MIXTURES AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
CN-103025773-A Polymerizable mixture and use thereof in liquid crystal displays MERCK PATENT GMBH 2013-04-03 CN disclosed
WO-2012097858-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
CN-102197109-A Liquid crystal display MERCK PATENT GMBH 2011-09-21 CN disclosed
US-20110205482-A1 LIQUID-CRYSTAL DISPLAY MERCH PATENT GESELLSCHAFT MIT BESCHRANKTE HAFTUNG (DE) 2011-08-25 US disclosed
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof UNIVERSITY OF MISSISSIPPI 2009-07-30 US disclosed
US-7468445-B2 Antigiardial agents and use thereof UNIVERSITY OF MISSISSIPPI (US) 2008-12-23 US disclosed
US-20060106091-A1 Antigiardial agents and use thereof THE UNIVERSITY OF MISSISSIPPI 2006-05-18 US disclosed
WO-2004014886-A1 ANTIGIARDIAL AGENTS AND USE THEREOF UNIVERSITY OF MISSISSIPPI (US) 2004-02-19 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 (5 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-20060106091-A1 Antigiardial agents and use thereof GPER1, ENPP2, ALPI CA1 1070/4885CA2 341/4885KDM4E 2433/4885
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof ENPP2, GPER1, ALPI CA1 1098/4885CA2 431/4885KDM4E 2954/4885
US-10414743-B2 Polymerizable compounds and the use thereof in liquid-crystal displays VCL, LPXN, ACP3 CA1 497/4885CA2 1451/4885KDM4E 2990/4885
US-20110205482-A1 LIQUID-CRYSTAL DISPLAY VCL, LPXN, LCP1 CA1 799/4885CA2 1574/4885KDM4E 3159/4885
US-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, LCP1 CA1 518/4885CA2 1431/4885KDM4E 3198/4885

“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.