SCHEMBL7589651

SCHEMBL7589651

c1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.53
LTA4H P09960 2/20 0.50
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL498361 1.00 DPP4 (0.53) DPP4LTA4HHSD17B1HSD17B2ALDH1A1
SCHEMBL14960832 1.00 DPP4 (0.53) DPP4LTA4HHSD17B1HSD17B2ALDH1A1
SCHEMBL14960831 1.00 DPP4 (0.53) DPP4LTA4HHSD17B1HSD17B2ALDH1A1
SCHEMBL7587637 0.96 DPP4 (0.50) DPP4LTA4HHSD17B1HSD17B2ALDH1A1
SCHEMBL23611278 0.86 DPP4 (0.65) DPP4LTA4HALDH1A1L3MBTL1KDM4E
SCHEMBL13707354 0.86 DPP4 (0.65) DPP4LTA4HALDH1A1L3MBTL1KDM4E
Alpha-Terthienyl SCHEMBL147274 0.86 DPP4 (0.65) DPP4LTA4HALDH1A1L3MBTL1KDM4E
SCHEMBL2742433 0.86 DPP4 (0.65) DPP4LTA4HALDH1A1L3MBTL1KDM4E
SCHEMBL1105086 0.86 DPP4 (0.65) DPP4LTA4HALDH1A1L3MBTL1KDM4E
SCHEMBL499333 0.86 DPP4 (0.65) DPP4LTA4HALDH1A1L3MBTL1KDM4E

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
US-9812263-B2 Compound and photoelectric conversion device ADEKA CORPORATION (JP) 2017-11-07 US disclosed
US-9812263-B2 Compound and photoelectric conversion device ADEKA CORPORATION (JP) 2017-11-07 US disclosed
US-9805879-B2 Dye-sensitized solar cell ADEKA CORPORATION (JP) 2017-10-31 US disclosed
US-9805879-B2 Dye-sensitized solar cell ADEKA CORPORATION (JP) 2017-10-31 US disclosed
US-9530571-B2 Compound and support material supporting this novel compound ADEKA CORPORATION (JP) 2016-12-27 US disclosed
US-20160211085-A1 NOVEL COMPOUND AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2016-07-21 US disclosed
US-9324889-B2 Compound and photoelectric conversion device ADEKA CORPORATION (JP) 2016-04-26 US disclosed
US-20150380171-A1 CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2015-12-31 US disclosed
US-20140299191-A1 DYE-SENSITIZED SOLAR CELL ADEKA CORPORATION (JP) 2014-10-09 US disclosed
US-20140261647-A1 NOVEL COMPOUND AND SUPPORT MATERIAL SUPPORTING THIS NOVEL COMPOUND ADEKA CORPORATION (JP) 2014-09-18 US disclosed
US-20130125987-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR BATTERY CONTAINING THE SAME KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-05-23 US disclosed
US-20020114973-A1 Molecular compound, luminous material using the same, and luminous element JAPAN CHEMICAL INNOVATION INSTITUTE (JP) 2002-08-22 US disclosed
US-6355365-B1 FOR USE IN ORGANIC ELECTRO LUMINESCENCE (EL) DEVICE; EFFICIENCY JAPAN CHEMICAL INNOVATION INSTITUTE (JP) 2002-03-12 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 (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-20160211085-A1 NOVEL COMPOUND AND PHOTOELECTRIC CONVERSION DEVICE CYP1B1, PAH, CRY1 DPP4 4449/4885LTA4H 1060/4885HSD17B1 460/4885
US-20020114973-A1 Molecular compound, luminous material using the same, and luminous element TYR, BRD4, NOTCH1 DPP4 3917/4885LTA4H 653/4885HSD17B1 4487/4885

“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.