SCHEMBL2368058

SCHEMBL2368058

Oc1cc2c(Br)c(O)c(Br)cc2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTPN1 P18031 2/20 0.41
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
AKR1B1 P15121 1/20 0.36
GPR35 Q9HC97 4/20 0.35
ALOX15 P16050 3/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
ALOX12 P18054 2/20 0.33
NQO2 P16083 1/20 0.32
TTR P02766 2/20 0.32
MEN1 O00255 1/20 0.32
ALB P02768 1/20 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
SCHEMBL2368449 0.75 CA1 (0.52) CA1CA2CA4CA6PTPN1
SCHEMBL10770350 0.74 ALOX15 (0.41) CA1CA2CA4CA6CYP3A4
SCHEMBL630621 0.74 ESR1 (0.42) CA1CA2CA4CA6CYP3A4
SCHEMBL3906236 0.74 ERN1 (0.45) CYP3A4TSHRTDP1GPR35ALOX15
SCHEMBL12483710 0.72 ALOX15 (0.46) CA1CA2CA4CA6CYP3A4
SCHEMBL12484114 0.72 ALOX15 (0.46) CA1CA2CA4CA6CYP3A4
SCHEMBL29815372 0.72 ALOX15 (0.46) CA1CA2CA4CA6CYP3A4
SCHEMBL2368577 0.72 ALOX15 (0.46) CA1CA2CA4CA6CYP3A4
SCHEMBL2367985 0.72 ALOX15 (0.46) CA1CA2CA4CA6CYP3A4
SCHEMBL29705950 0.72 ALOX15 (0.46) CA1CA2CA4CA6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368892-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE UNIV HIROSHIMA (JP) 2014-12-03 EP disclosed
EP-2368892-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE UNIV HIROSHIMA (JP) 2014-12-03 EP disclosed
US-8816100-B2 Compound, method of producing the compound, organic semiconductor material and organic semiconductor device HIROSHIMA UNIVERSITY (JP) 2014-08-26 US disclosed
US-8816100-B2 Compound, method of producing the compound, organic semiconductor material and organic semiconductor device HIROSHIMA UNIVERSITY (JP) 2014-08-26 US disclosed
US-8816100-B2 Compound, method of producing the compound, organic semiconductor material and organic semiconductor device HIROSHIMA UNIVERSITY (JP) 2014-08-26 US disclosed
US-20140051865-A1 DESCRIPTION NOVEL COMPUND, METHOD OF PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE HIROSHIMA UNIVERSITY (JP) 2014-02-20 US disclosed
US-20140051865-A1 DESCRIPTION NOVEL COMPUND, METHOD OF PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE HIROSHIMA UNIVERSITY (JP) 2014-02-20 US disclosed
US-20140051865-A1 DESCRIPTION NOVEL COMPUND, METHOD OF PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE HIROSHIMA UNIVERSITY (JP) 2014-02-20 US disclosed
EP-2368892-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE Hiroshima University (JP) 2011-09-28 EP disclosed
EP-2368892-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE Hiroshima University (JP) 2011-09-28 EP disclosed
US-8021578-B2 Fused thiophene acenes and organic semiconductors made therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-20 US disclosed
US-8021578-B2 Fused thiophene acenes and organic semiconductors made therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-20 US disclosed
US-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device HIROSHIMA UNIVERSITY (JP) 2011-09-15 US disclosed
US-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device HIROSHIMA UNIVERSITY (JP) 2011-09-15 US disclosed
US-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device HIROSHIMA UNIVERSITY (JP) 2011-09-15 US disclosed
WO-2010058692-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE 国立大学法人広島大学 (JP) 2010-05-27 WO disclosed
US-20090166590-A1 FUSED THIOPHENE ACENES AND ORGANIC SEMICONDUCTORS MADE THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-02 US disclosed
US-20090166590-A1 FUSED THIOPHENE ACENES AND ORGANIC SEMICONDUCTORS MADE THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-02 US 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-20090166590-A1 FUSED THIOPHENE ACENES AND ORGANIC SEMICONDUCTORS MADE THEREFROM ACE2, ACE, DDT CA1 325/4885CA2 892/4885CA4 844/4885
US-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device TST, SCLY, SELENOI CA1 1041/4885CA2 3159/4885CA4 1568/4885

“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.