SCHEMBL1978701

SCHEMBL1978701

c1ccc2c(c1)cc1ccc3c4c(ccc2c14)c1ccc2cccc4c5ccccc5c3c1c24

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.81
ERBB2 P04626 1/20 0.81
FYN P06241 1/20 0.81
MAOA P21397 1/20 0.81
ACHE P22303 1/20 0.81
AHR P35869 1/20 0.81
ALDH1A1 P00352 7/20 0.64
HSD17B10 Q99714 7/20 0.64
HPGD P15428 5/20 0.64
THRB P10828 1/20 0.64
HPRT1 P00492 3/20 0.50
TSHR P16473 4/20 0.47
HIF1A Q16665 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CYP1B1 Q16678 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
TRPM4 Q8TD43 1/20 0.42

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
SCHEMBL2464109 1.00 CYP1A2 (0.81) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853967 0.96 CYP1A2 (0.81) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4845372 0.96 CYP1A2 (0.81) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4847434 0.94 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5483808 0.94 CYP1A2 (0.84) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4851973 0.92 CYP1A2 (0.74) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852627 0.92 CYP1A2 (0.68) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4854697 0.92 CYP1A2 (0.68) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852478 0.92 CYP1A2 (0.96) CYP1A2ERBB2FYNMAOAACHE
Benzo[E]Pyrene SCHEMBL6268603 0.92 CYP1A2 (0.96) CYP1A2ERBB2FYNMAOAACHE

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
EP-2260035-B1 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2014-08-20 EP claimed
US-20110149393-A1 Polycyclic Organic Compounds, Polarizing Elements and Method of Production Thereof Crysoptic KK (JP) 2011-06-23 US claimed
EP-2260035-A2 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2010-12-15 EP claimed
WO-2009109781-A2 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2009-09-11 WO claimed
EP-2260035-B1 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2014-08-20 EP disclosed
US-20120222794-A1 TRANSFER SUBSTRATE AND METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENT ELEMENT SONY CORPORATION (JP) 2012-09-06 US disclosed
US-8207088-B2 Transfer substrate and method for fabricating organic electroluminescent element SONY CORPORATION (JP) 2012-06-26 US disclosed
US-20110149393-A1 Polycyclic Organic Compounds, Polarizing Elements and Method of Production Thereof Crysoptic KK (JP) 2011-06-23 US disclosed
EP-2260035-A2 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2010-12-15 EP disclosed
WO-2009109781-A2 POLYCYCLIC ORGANIC COMPOUNDS, POLARIZING ELEMENTS AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2009-09-11 WO disclosed
US-20090045735-A1 TRANSFER SUBSTRATE AND METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENT ELEMENT SONY CORPORATION (JP) 2009-02-19 US disclosed
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
JP-2008288469-A ORGANIC TRANSISTOR MITSUI CHEMICALS INC 2008-11-27 JP disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 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-20110149393-A1 Polycyclic Organic Compounds, Polarizing Elements and Method of Production Thereof CCNB1, CCNB2, CCNE2 CYP1A2 213/4885ERBB2 2194/4885FYN 2260/4885

“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.