SCHEMBL991738

SCHEMBL991738

CCCCCCCCc1c(CCCCCCCC)c2cc(Br)sc2c2sc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.43
PTGS2 P35354 2/20 0.35
ALOX5 P09917 5/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR8 Q9NR97 2/20 0.33
SRC P12931 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL2679142 1.00 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL3371736 0.98 GPR35 (0.41) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL14882940 0.94 GPR35 (0.40) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL337083 0.93 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL3842117 0.93 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL995558 0.93 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL14706992 0.93 GPR35 (0.43) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL17794012 0.87 GPR35 (0.40) GPR35PTGS2ALOX5KDM4EALDH1A1
SCHEMBL3372177 0.85 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL992052 0.83 GPR35 (0.38) GPR35PTGS2ALOX5TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9184390-B2 Polymers with tunable band gaps for photonic and electronic applications THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-11-10 US disclosed
US-9184390-B2 Polymers with tunable band gaps for photonic and electronic applications THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-11-10 US disclosed
EP-2615095-B1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL, PREPARATION METHOD AND USE THEREOF OCEANS KING LIGHTING SCIENCE (CN) 2015-11-04 EP disclosed
US-8557987-B2 Benzodithiophene organic semiconductive material and its preparation method and use OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-15 US disclosed
US-8557987-B2 Benzodithiophene organic semiconductive material and its preparation method and use OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-15 US disclosed
EP-2615095-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL, PREPARATION METHOD AND USE THEREOF Ocean's King Lighting Science&Technology Co., Ltd. (CN) 2013-07-17 EP disclosed
US-20130165655-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL AND ITS PREPARATION METHOD AND USE OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-27 US disclosed
US-20130165655-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL AND ITS PREPARATION METHOD AND USE OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-27 US disclosed
US-20130102746-A1 CONJUGATED POLYMER BASED ON BENZODITHIOPHENE AND THIENOPYRAZINE, PREPARATION METHOD THEREOF AND APPLICATION THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD (CN) 2013-04-25 US disclosed
US-20130092912-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2013-04-18 US disclosed
US-20130092912-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2013-04-18 US disclosed
US-20130072654-A1 QUINOXALINE CONJUGATED POLYMER CONTAINING FUSED-RING THIOPHENE UNIT, PREPARATION METHOD AND USES THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO.,LTD (CN) 2013-03-21 US disclosed
US-20130072654-A1 QUINOXALINE CONJUGATED POLYMER CONTAINING FUSED-RING THIOPHENE UNIT, PREPARATION METHOD AND USES THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO.,LTD (CN) 2013-03-21 US disclosed
US-20110006287-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NATIONAL SCIENCE FOUNDATION 2011-01-13 US disclosed
US-20110006287-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NATIONAL SCIENCE FOUNDATION 2011-01-13 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 (3 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-20130092912-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS GJB2, PARG, PARN GPR35 3920/4885PTGS2 1919/4885ALOX5 2683/4885
US-20130165655-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL AND ITS PREPARATION METHOD AND USE CCNT1, CCNE2, SULT1A1 GPR35 2634/4885PTGS2 987/4885ALOX5 1355/4885
US-20110006287-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS GJB2, CYBA, MB GPR35 4164/4885PTGS2 2028/4885ALOX5 2022/4885

“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.