SCHEMBL6003279

SCHEMBL6003279

c1ccc2c(c1)Oc1ccsc1O2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ALOX5 P09917 1/20 0.36
GRM1 Q13255 1/20 0.33
NTSR1 P30989 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
TRPA1 O75762 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
PTPRC P08575 1/20 0.30

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
SCHEMBL29383458 0.72 MAOA (0.56) AHRMAOAMAOBALOX5TRPA1
SCHEMBL15613 0.72
SCHEMBL125113 0.72 MAOA (0.56) AHRMAOAMAOBALOX5TRPA1
SCHEMBL3102452 0.72 MAOA (0.56) AHRMAOAMAOBALOX5TRPA1
SCHEMBL8668546 0.72 MAOA (0.56) AHRMAOAMAOBALOX5TRPA1
SCHEMBL4571011 0.72 MAOA (0.56) AHRMAOAMAOBALOX5TRPA1
SCHEMBL8671027 0.72 MAOA (0.56) AHRMAOAMAOBALOX5TRPA1
SCHEMBL29724179 0.72 MAOA (0.56) AHRMAOAMAOBALOX5TRPA1
SCHEMBL9412277 0.70 CES1 (0.30)
Water SCHEMBL1286428 0.69 MAOA (0.53) AHRMAOAMAOBALOX5TRPA1

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
EP-1275649-B1 Benzodioxinethiophene, its preparation and use STARCK H C GMBH (DE) 2006-03-08 EP disclosed
EP-1275649-B1 Benzodioxinethiophene, its preparation and use STARCK H C GMBH (DE) 2006-03-08 EP disclosed
US-6825357-B2 3,4-(1',2'-BENZODIOXY)THIOPHENE MONOMERS OF GIVEN FORMULA; ELECTROCONDUCTIVE POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 US disclosed
US-6825357-B2 3,4-(1',2'-BENZODIOXY)THIOPHENE MONOMERS OF GIVEN FORMULA; ELECTROCONDUCTIVE POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 US disclosed
US-6825357-B2 3,4-(1',2'-BENZODIOXY)THIOPHENE MONOMERS OF GIVEN FORMULA; ELECTROCONDUCTIVE POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 US disclosed
EP-1275649-A3 Benzodioxinethiophene, its preparation and use Bayer Aktiengesellschaft (DE) 2003-11-26 EP disclosed
EP-1275649-A3 Benzodioxinethiophene, its preparation and use Bayer Aktiengesellschaft (DE) 2003-11-26 EP disclosed
US-20030028024-A1 Benzodioxinothiophenes, their preparation and use H. C. STARCK GMBH (DE) 2003-02-06 US disclosed
US-20030028024-A1 Benzodioxinothiophenes, their preparation and use H. C. STARCK GMBH (DE) 2003-02-06 US disclosed
US-20030028024-A1 Benzodioxinothiophenes, their preparation and use H. C. STARCK GMBH (DE) 2003-02-06 US disclosed
EP-1275649-A2 Benzodioxinethiophene, its preparation and use Bayer Aktiengesellschaft (DE) 2003-01-15 EP disclosed
EP-1275649-A2 Benzodioxinethiophene, its preparation and use Bayer Aktiengesellschaft (DE) 2003-01-15 EP disclosed
EP-1275649-A2 Benzodioxinethiophene, its preparation and use Bayer Aktiengesellschaft (DE) 2003-01-15 EP 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 (1 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-20030028024-A1 Benzodioxinothiophenes, their preparation and use PRDX5, BROX, PRDX2 AHR 421/4885MAOA 729/4885MAOB 515/4885

“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.