SCHEMBL5433433

SCHEMBL5433433

O=C(c1ccccc1)c1ccc(CCBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 3/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
SRD5A2 P31213 4/20 0.54
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HDAC1 Q13547 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
PTPN1 P18031 1/20 0.47
GSK3B P49841 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL27961330 0.92 TDP1 (0.48) TDP1ALDH1A1CES2CES1SRD5A2
SCHEMBL17183156 0.89 HDAC1 (0.53) TDP1ALDH1A1CES2CES1SRD5A2
SCHEMBL9125569 0.89 ALDH1A1 (0.52) TDP1ALDH1A1CES2CES1SRD5A2
SCHEMBL27888963 0.88 CES2 (0.71) TDP1CES2CES1HDAC1RAB9A
SCHEMBL7889494 0.87 ALDH1A1 (0.67) TDP1ALDH1A1CES2CES1SRD5A2
SCHEMBL17183151 0.87 HDAC1 (0.56) TDP1ALDH1A1CES2CES1SRD5A2
SCHEMBL7898126 0.85 ALDH1A1 (0.64) TDP1ALDH1A1CES2CES1SRD5A2
SCHEMBL118227 0.83 CES2 (0.77) TDP1ALDH1A1CES2CES1SRD5A2
SCHEMBL11301145 0.83 TDP1 (0.59) TDP1ALDH1A1SRD5A2ATML3MBTL1
SCHEMBL8026026 0.82 TDP1 (0.60) TDP1ALDH1A1CES2CES1SRD5A2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105295518-A UV-LED curing gravure ink and preparation method thereof GUANGDONG ZHUANGLI COLOR PRINTING CO LTD 2016-02-03 CN claimed
CN-102911386-B Fluorescent polymer brush film, preparation method of fluorescent polymer brush film and application of fluorescent polymer brush film in detecting explosives with high sensitivity UNIV JILIN 2014-05-07 CN claimed
CN-102432765-B Poly(2-hydroxyethyl methacrylate) and anion exchange membrane for vanadium battery CAS GUANGZHOU CHEMISTRY CO LTD 2013-11-06 CN claimed
CN-102911386-A Fluorescent polymer brush film, preparation method of fluorescent polymer brush film and application of fluorescent polymer brush film in detecting explosives with high sensitivity UNIV JILIN 2013-02-06 CN claimed
CN-101942046-A Benzophenone fragment and p-nitrodiphenylethene fragment-containing tree like visible light photoinitiator and synthesis and application thereof UNIV CHONGQING 2011-01-12 CN claimed
CN-101602893-A Conjugated type contain benzophenone stilbene dye and synthetic and application UNIV CHONGQING (CN) 2009-12-16 CN claimed
CN-101570643-A Asymmetric compound taking triphenylamine as nucleus and containing benzophenone fragment and synthesis and application thereof UNIV CHONGQING (CN) 2009-11-04 CN claimed
CN-101225241-A Non-conjugated p-nitro diphenyl ethylene dye containing benzophenone via ether linkage as well as synthesis and uses thereof UNIV CHONGQING (CN) 2008-07-23 CN claimed
CN-101225240-A Conjugated benzophenone-containing triphenylamine dyes as well as synthesis and uses thereof UNIV CHONGQING (CN) 2008-07-23 CN claimed
CN-101220213-A Diphenyl ketone containing nitryl azobenzene dye through ether linkage, synthesis and application thereof UNIV CHONGQING (CN) 2008-07-16 CN claimed
CN-101177538-A P-nitro diphenyl ethylene dye containing benzophenone via ether linkage as well as synthesis and application UNIV CHONGQING (CN) 2008-05-14 CN claimed
CN-103415540-B The manufacture method of photosensitive composite, cured article and active ray cured article SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-23 CN disclosed
CN-105295518-A UV-LED curing gravure ink and preparation method thereof GUANGDONG ZHUANGLI COLOR PRINTING CO LTD 2016-02-03 CN disclosed
CN-105209429-A Ship1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC 2015-12-30 CN disclosed
CN-103509042-B A kind of preparation method of new terbium complex probe and the purposes as potassium ion identification agent thereof BEIJING NORMAL UNIVERSITY (CN) 2015-12-16 CN disclosed
CN-101052672-A Photo-crosslinked hydrogel blend surface coatings BERLEX LAB (US) 2007-10-10 CN disclosed
US-20070082022-A1 LATENT REACTIVE BLOOD COMPATIBLE AGENTS Surmodics Coatings, LLC 2007-04-12 US disclosed
CN-1582279-A Peroxisome-activated receptor agonists LILLY CO ELI (US) 2005-02-16 CN disclosed
CN-1045005-C Novel bisoxadiazolidine derivative YAMANOUCHI PHARMA CO LTD (JP) 1999-09-08 CN disclosed
CN-1122133-A Novel bis-oxadiazolidine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-05-08 CN 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-20070082022-A1 LATENT REACTIVE BLOOD COMPATIBLE AGENTS FGB, HLA-A, HLA-C TDP1 4427/4885ALDH1A1 530/4885CES2 602/4885

“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.