SCHEMBL4845145

SCHEMBL4845145

c1ccc2cc3cc4c(cc3cc2c1)c1cccc2ccc3cccc4c3c21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.68
HSD17B10 Q99714 10/20 0.68
HPGD P15428 6/20 0.68
CYP1A2 P05177 4/20 0.68
THRB P10828 1/20 0.68
ERBB2 P04626 1/20 0.65
FYN P06241 1/20 0.65
MAOA P21397 1/20 0.65
ACHE P22303 1/20 0.65
AHR P35869 1/20 0.65
HIF1A Q16665 4/20 0.48
CYP1B1 Q16678 2/20 0.48
TSHR P16473 6/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A1 P04798 1/20 0.46
CASP1 P29466 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 3/20 0.44
CASP7 P55210 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL987470 0.95 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL28073387 0.91 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL11308487 0.91 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzo[E]Pyrene SCHEMBL712530 0.90 ALDH1A1 (0.84) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL27689290 0.87 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benz(B)Anthracene SCHEMBL4978195 0.87 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL31177937 0.87 CYP1A2 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL11304585 0.87 CYP1A2 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4850463 0.87 CYP1A2 (0.68) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL27594413 0.87 CYP1A2 (0.74) ALDH1A1HSD17B10HPGDCYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481428-A1 ORGANIC THIN FILM TRANSISTOR WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M Innovative Properties Company (US) 2004-12-01 EP claimed
US-20030175551-A1 Surface modified organic thin film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US claimed
WO-2003077327-A1 ORGANIC THIN FILM TRANSISTORS WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-09-18 WO claimed
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US 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
EP-1481428-A1 ORGANIC THIN FILM TRANSISTOR WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M Innovative Properties Company (US) 2004-12-01 EP disclosed
US-6768132-B2 MULTILAYER INTEGRATED CIRCUIT; BARRIER DIELECTRIC AND SEMICONDUCTOR 3M INNOVATIVE PROPERTIES COMPANY 2004-07-27 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
US-20030175551-A1 Surface modified organic thin film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
WO-2003077327-A1 ORGANIC THIN FILM TRANSISTORS WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-09-18 WO disclosed