SCHEMBL6437003

SCHEMBL6437003

Brc1c(-c2ccccc2)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
PTGS2 P35354 2/20 0.41
PTPN1 P18031 2/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
ITGA4 P13612 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1518983 0.87 GPR3 (0.55) GPR3L3MBTL1PTGS2PTPN1MCL1
SCHEMBL7352370 0.85 MEN1 (0.51) GPR3L3MBTL1PTGS2PTPN1TDP1
SCHEMBL28521550 0.85 KDM4E (0.41) GPR3L3MBTL1PTGS2TDP1ATM
SCHEMBL28506879 0.83 TDO2 (0.43) GPR3PTGS2PTPN1MEN1KMT2A
SCHEMBL2150616 0.83 PTPN1 (0.37) GPR3L3MBTL1PTPN1PTPRCPTPN2
SCHEMBL28415064 0.81 LIMK1 (0.43) L3MBTL1PTPN1PTPRCPTPN2MCL1
SCHEMBL29765328 0.81 LIMK1 (0.43) L3MBTL1PTPN1PTPRCPTPN2MCL1
SCHEMBL6597757 0.81 L3MBTL1 (0.59) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL28507955 0.81 L3MBTL1 (0.40) GPR3L3MBTL1PTGS2PTPN1TDP1
SCHEMBL28521257 0.81 SLC9A1 (0.39) GPR3PTGS2ITGA4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024122572-A1 WAVELENGTH CONVERSION FILM-FORMING COMPOSITION AND FUSED THIOPHENE COMPOUND 日産化学株式会社 2024-06-13 WO disclosed
US-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 US disclosed
CN-110656346-B Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2021-02-02 CN disclosed
US-10556912-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2020-02-11 US disclosed
CN-110656346-A Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2020-01-07 CN disclosed
US-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2019-08-22 US disclosed
US-20180339995-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS SWITCH MATERIALS, INC. (CA) 2018-11-29 US disclosed
EP-3385354-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF Switch Materials, Inc. (CA) 2018-10-10 EP disclosed
US-10072023-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2018-09-11 US disclosed
EP-2760969-B1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MAT INC (CA) 2018-05-16 EP disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
EP-2760969-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS Switch Materials, Inc. (CA) 2014-08-06 EP disclosed
WO-2013044371-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS SWITCH MATERIALS, INC. (CA) 2013-04-04 WO disclosed
WO-2013044371-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS SWITCH MATERIALS, INC. (CA) 2013-04-04 WO disclosed
US-20050054882-A1 Diaryl ether condensation reactions NSF - DEITR 2005-03-10 US disclosed
US-6762329-B2 EFFECTS OF ACIDIC ACTIVATORS ON ULLMANN-TYPE COUPLINGS INVOLVING ELECTRON-POOR AND/OR RELATIVELY INSOLUBLE SUBSTRATES. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-13 US disclosed
US-20030088128-A1 Diaryl ether condensation reactions NATIONAL SCIENCE FOUNDATION 2003-05-08 US disclosed
US-6395939-B1 CATALYTIC ETHERIFICATION AND CONDENSATION WITH COPPER CATALYSTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 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 (8 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-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B GPR3 1040/4885L3MBTL1 3851/4885PTGS2 1472/4885
US-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B GPR3 1040/4885L3MBTL1 3851/4885PTGS2 1472/4885
US-20050054882-A1 Diaryl ether condensation reactions NSFL1C, DERL1, UBE2M GPR3 4171/4885L3MBTL1 3571/4885PTGS2 2352/4885
US-20030088128-A1 Diaryl ether condensation reactions NSFL1C, DERL1, UBE2M GPR3 4171/4885L3MBTL1 3571/4885PTGS2 2352/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B GPR3 1040/4885L3MBTL1 3851/4885PTGS2 1472/4885
US-20180339995-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS HCN2, KCNH2, KCNH3 GPR3 1640/4885L3MBTL1 3049/4885PTGS2 504/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B GPR3 1040/4885L3MBTL1 3851/4885PTGS2 1472/4885
US-10072023-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B GPR3 1040/4885L3MBTL1 3851/4885PTGS2 1472/4885

“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.