SCHEMBL3398722

SCHEMBL3398722

CCCCCCCCCCCCCCC1COc2cscc2O1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 2/20 0.41
PPARG P37231 2/20 0.40
EPHX1 P07099 1/20 0.40
GRM2 Q14416 10/20 0.36
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
HTT P42858 1/20 0.34
ALOX5 P09917 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
SCHEMBL5895096 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL4261922 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL4259425 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL5895085 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL10059872 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL5895055 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL5896208 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL4261969 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL4258523 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGEPHX1GRM2
SCHEMBL4260024 0.98 ALDH1A1 (0.43) ALDH1A1CYP1A2PPARGEPHX1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029694-B2 Photoelectric conversion element and solar cell Konica Minolta, Inc. (JP) 2015-05-12 US disclosed
US-9029694-B2 Photoelectric conversion element and solar cell Konica Minolta, Inc. (JP) 2015-05-12 US disclosed
US-8592003-B2 Highly transparent electrochromic coating material, method for producing the same and use of the material FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2013-11-26 US disclosed
US-20130056074-A1 DYE-SENSITIZED SOLAR CELL AND PRODUCTION METHOD OF THE SAME KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-03-07 US disclosed
US-20120325319-A1 PHOTOELECTRIC CONVERSION ELEMENT, METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-12-27 US disclosed
US-20120042953-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-02-23 US disclosed
US-20100189918-A1 HIGHLY TRANSPARENT ELECTROCHROMIC COATING MATERIAL, METHOD FOR PRODUCING THE SAME AND USE OF THE MATERIAL FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2010-07-29 US disclosed
EP-1928000-B1 Highly transparent electrochromic coating material, method for producing the same and use of the material FRAUNHOFER GES FORSCHUNG (DE) 2009-05-20 EP disclosed
EP-1928000-A1 Highly transparent electrochromic coating material, method for producing the same and use of the material Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2008-06-04 EP disclosed
US-7094865-B2 Thiophenes and polymers derived therefrom AGFA GEVAERT (BE) 2006-08-22 US disclosed
EP-1375560-B1 Alkylenedioxythiophene dimers and trimers STARCK H C GMBH (DE) 2006-03-22 EP disclosed
US-6891016-B2 Alkylenedioxythiophene dimers and trimers H. C. STARCK GMBH (DE) 2005-05-10 US disclosed
EP-1390422-B1 THIOPHENES AND POLYMERS DERIVED THEREFROM AGFA GEVAERT (BE) 2004-11-03 EP disclosed
US-20040031951-A1 Alkylenedioxythiophene dimers and trimers HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2004-02-19 US disclosed
EP-1375560-A1 Alkylenedioxythiophene dimers and trimers H.C. Starck GmbH (DE) 2004-01-02 EP disclosed
US-20030055130-A1 New thiophenes and polymers derived therefrom AGFA-GEVAERT (BE) 2003-03-20 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 (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-20030055130-A1 New thiophenes and polymers derived therefrom NOTUM, WEE1, THEM6 ALDH1A1 136/4885CYP1A2 96/4885PPARG 3154/4885

“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.