SCHEMBL633158

SCHEMBL633158

CC(CN)c1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.62
KDM4E B2RXH2 9/20 0.62
MAPT P10636 8/20 0.62
RECQL P46063 7/20 0.62
BLM P54132 5/20 0.62
LMNA P02545 5/20 0.62
HPGD P15428 4/20 0.62
MAPK1 P28482 4/20 0.62
ADRB2 P07550 4/20 0.62
ADRB1 P08588 4/20 0.62
APEX1 P27695 3/20 0.62
KMT2A Q03164 3/20 0.62
ADRB3 P13945 3/20 0.62
ADRA1D P25100 3/20 0.62
MEN1 O00255 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
DRD2 P14416 2/20 0.62
ADRA2B P18089 2/20 0.62
ADRA2C P18825 2/20 0.62

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
SCHEMBL14100469 1.00 TDP1 (0.62) TDP1KDM4EMAPTRECQLBLM
SCHEMBL14100446 1.00 TDP1 (0.62) TDP1KDM4EMAPTRECQLBLM
SCHEMBL11810875 0.88 TRPA1 (0.61) TDP1KDM4EMAPTRECQLBLM
Bromide SCHEMBL9513709 0.81 SHBG (0.51) TDP1KDM4EMAPTRECQLBLM
SCHEMBL683547 0.81 HSD17B10 (0.69) TDP1KDM4EMAPTRECQLBLM
SCHEMBL11880606 0.80 TDP1 (0.58) TDP1KDM4EMAPTRECQLBLM
SCHEMBL16564149 0.80 NFKB1 (0.71) BLMLMNAHPGDMAPK1CYP3A4
SCHEMBL18473537 0.79 TDP1 (0.50) TDP1KDM4EMAPTRECQLBLM
SCHEMBL26061215 0.79 TDP1 (0.50) TDP1KDM4EMAPTRECQLBLM
SCHEMBL4993623 0.78 TDP1 (0.54) TDP1KDM4EMAPTRECQLBLM

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
US-9171710-B2 Mass spectrometric analysis using nanoparticle matrices THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2015-10-27 US claimed
US-20150076340-A1 MASS SPECTROMETRIC ANALYSIS USING NANOPARTICLE MATRICES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2015-03-19 US claimed
WO-2014100630-A1 SYNTHESIS AND SURFACE FUNCTIONALIZATION OF PARTICLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-06-26 WO claimed
CN-117903072-A Dopa compound and preparation method and application thereof 深圳市松柏科工股份有限公司 2024-04-19 CN disclosed
US-9171710-B2 Mass spectrometric analysis using nanoparticle matrices THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2015-10-27 US disclosed
US-20150076340-A1 MASS SPECTROMETRIC ANALYSIS USING NANOPARTICLE MATRICES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2015-03-19 US disclosed
US-20140179941-A1 Synthesis and Surface Functionalization of Particles BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-06-26 US disclosed
EP-1866357-B1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2012-02-22 EP disclosed
US-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-8044235-B2 (Meth) acryloyl group-containing aromatic isocyanate compound and production process thereof SHOWA DENKO K.K. (JP) 2011-10-25 US disclosed
US-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof SHOWA DENKO K.K. (JP) 2009-02-26 US disclosed
EP-1866357-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF Showa Denko K.K. (JP) 2007-12-19 EP disclosed
WO-2006103979-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 2006-10-05 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 (2 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-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS BDNF, NTRK2, COMT TDP1 331/4885KDM4E 2077/4885MAPT 415/4885
US-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof PRMT5, ACR, PRMT1 TDP1 3531/4885KDM4E 620/4885MAPT 1321/4885

“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.