SCHEMBL3559696

SCHEMBL3559696

CCCCCCCCCCc1c(Br)sc(Br)c1CCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.44
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
TYMP P19971 2/20 0.36
PTGS2 P35354 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 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
SCHEMBL5715261 1.00 GPR35 (0.44) GPR35ALDH1A1TSHRTHRBTYMP
SCHEMBL31017017 1.00 GPR35 (0.44) GPR35ALDH1A1TSHRTHRBTYMP
SCHEMBL2492202 1.00 GPR35 (0.44) GPR35ALDH1A1TSHRTHRBTYMP
SCHEMBL1413157 1.00 GPR35 (0.44) GPR35ALDH1A1TSHRTHRBTYMP
Bromide SCHEMBL6258898 0.98 GPR35 (0.42) GPR35ALDH1A1TSHRTHRBTYMP
SCHEMBL4824479 0.90 HTT (0.37) GPR35ALDH1A1TSHRTYMPKDM4E
SCHEMBL13834865 0.89 GPR35 (0.41) GPR35ALDH1A1TSHRTHRBTYMP
SCHEMBL28354074 0.89 GPR35 (0.41) GPR35ALDH1A1TSHRTHRBTYMP
SCHEMBL12440886 0.89 GPR35 (0.41) GPR35ALDH1A1TSHRTHRBTYMP
SCHEMBL1156732 0.89 GPR35 (0.41) GPR35ALDH1A1TSHRTHRBTYMP

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
CN-1956988-B Mono-, oligo-and polythieno [3,2-b ] thiophenes MERCK PATENT GMBH 2014-03-26 CN disclosed
US-7714098-B2 Mono-, oligo- and polythieno[3,2-b]thiophenes MERCK PATENT GMBH (DE) 2010-05-11 US disclosed
US-7714098-B2 Mono-, oligo- and polythieno[3,2-b]thiophenes MERCK PATENT GMBH (DE) 2010-05-11 US disclosed
EP-1751166-B1 MONO-, OLIGO- AND POLYTHIENO[3,2-B]THIOPHENES MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed
US-7470377-B2 Monomers, oligomers and polymers comprising thiophene and selenophene MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7470377-B2 Monomers, oligomers and polymers comprising thiophene and selenophene MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-20080303000-A1 Monomers, Oligomers and Polymers Comprising Thiophene and Selenophene MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080303000-A1 Monomers, Oligomers and Polymers Comprising Thiophene and Selenophene MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-7462726-B2 Conjugated thiophene compound comprising perfluorinated and alkylated sidechains, conductive organic thin film containing the compound, and field-effect type organic transistor employing the thin film CANON KABUSHIKI KAISHA (JP) 2008-12-09 US disclosed
EP-1856178-A1 MONOMERS, OLIGOMERS AND POLYMERS COMPRISING THIOPHENE AND SELENOPHENE Merck Patent GmbH (DE) 2007-11-21 EP disclosed
US-20070232812-A1 Mono-, Oligo- and Polythieno [3,2-B]Thiophenes MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
US-20070232812-A1 Mono-, Oligo- and Polythieno [3,2-B]Thiophenes MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
EP-1751166-A1 MONO-, OLIGO- AND POLYTHIENO[3,2-B]THIOPHENES MERCK PATENT GmbH (DE) 2007-02-14 EP disclosed
US-20060249712-A1 Monomers, oligomers and polymers comprising thiophene and selenophene MERCK PATENT GMBH (DE) 2006-11-09 US disclosed
US-20060234335-A1 Conjugated thiophene compound, conprising perfluorinated and alkylated sidechains, conductive organic thin film containing the compound, and field-effect type organic transistor employing the thin film CANON KABUSHIKI KAISHA (JP) 2006-10-19 US disclosed
WO-2006094645-A1 MONOMERS, OLIGOMERS AND POLYMERS COMPRISING THIOPHENE AND SELENOPHENE MERCK PATENT GMBH (DE) 2006-09-14 WO disclosed
WO-2005111045-A1 MONO-, OLIGO- AND POLYTHIENO[3,2-b]THIOPHENES MERCK PATENT GMBH (DE) 2005-11-24 WO disclosed
WO-2005070992-A2 CONJUGATED THIOPHENE COMPOUND, CONPRISING PERFLUORINATED AND ALKYLATED SIDECHAINS, CONDUCTIVE ORGANIC THIN FILM CONTAINING THE COMPOUND, AND FIELD-EFFECT TYPE ORGANIC TRANSISTOR EMPLOYING THE THIN FILM CANON KABUSHIKI KAISHA (JP) 2005-08-04 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-20070232812-A1 Mono-, Oligo- and Polythieno [3,2-B]Thiophenes FHIT, FUBP3, SLCO1B3 GPR35 3415/4885ALDH1A1 3925/4885TSHR 1273/4885
US-20080303000-A1 Monomers, Oligomers and Polymers Comprising Thiophene and Selenophene SELENOI, SELE, SLCO2A1 GPR35 2607/4885ALDH1A1 3422/4885TSHR 3659/4885

“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.