SCHEMBL769959

SCHEMBL769959

[c]1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TAAR1 Q96RJ0 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP3 P08254 1/20 0.40
BCL2L1 Q07817 1/20 0.40
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
SLC6A4 P31645 1/20 0.37
MGLL Q99685 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL769634 1.00 ALDH1A1 (0.45) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL25097 1.00 ALDH1A1 (0.45) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL41140 0.95 ALDH1A1 (0.42) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL38202 0.95 ALDH1A1 (0.42) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL28544762 0.92 ALDH1A1 (0.40) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL183516 0.90 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2449602 0.86 ALDH1A1 (0.41) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL26516 0.84 ALDH1A1 (0.42) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL26567 0.84 MAOA (0.41) ALDH1A1MGLLFAAHALOX5
SCHEMBL589437 0.84 MAOA (0.41) ALDH1A1MGLLFAAHALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017064243-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN GAS SENSORS BASF SE (DE) 2017-04-20 WO disclosed
EP-2583326-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2013-04-24 EP disclosed
EP-2537186-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2012-12-26 EP disclosed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 US disclosed
WO-2011158211-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 WO disclosed
US-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 US disclosed
EP-1640430-B1 Luminescent material and organic electroluminescent device using the same JNC CORP (JP) 2011-09-21 EP disclosed
US-20110203649-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2011-08-25 US disclosed
WO-2011101810-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2011-08-25 WO disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
US-20090066222-A1 Organic electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
EP-1826837-A1 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2007-08-29 EP disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 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 (5 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-20110203649-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS ICMT, EPCAM, INF2 ALDH1A1 1759/4885TAAR1 4807/4885CYP1A2 375/4885
US-20090066222-A1 Organic electronic functional material and use thereof EFNA1, EPB41, ETFB ALDH1A1 483/4885TAAR1 890/4885CYP1A2 290/4885
US-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS PPOX, JUP, CRY2 ALDH1A1 1214/4885TAAR1 3318/4885CYP1A2 1196/4885
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 ALDH1A1 1227/4885TAAR1 683/4885CYP1A2 829/4885
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B ALDH1A1 761/4885TAAR1 3201/4885CYP1A2 345/4885

“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.