SCHEMBL1547514

SCHEMBL1547514

C[CH]c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 7/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP3A4 P08684 4/20 0.41
RECQL P46063 3/20 0.41
RAPGEF4 Q8WZA2 1/20 0.37
HPGD P15428 3/20 0.36
AHR P35869 1/20 0.36
TP53 P04637 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
ERN1 O75460 1/20 0.34
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL15145994 0.78 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL5402215 0.78 RAPGEF4 (0.31) RAPGEF4
SCHEMBL28568064 0.75 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL18243708 0.72 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL320209 0.71 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL27644457 0.71 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL21600440 0.71 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL94930 0.71 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL1547930 0.71 ALDH1A1 (0.55) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL18378645 0.70 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-2311816-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2311817-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2308858-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-13 EP disclosed
US-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ALDH1A1 783/4885TSHR 472/4885HSD17B10 2944/4885
US-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL CYP4X1, PRDX5, PRDX1 ALDH1A1 1299/4885TSHR 2681/4885HSD17B10 1271/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD ALDH1A1 654/4885TSHR 776/4885HSD17B10 3783/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885TSHR 648/4885HSD17B10 339/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885TSHR 648/4885HSD17B10 339/4885

“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.