SCHEMBL4854590

SCHEMBL4854590

c1ccc2cc3c(cc2c1)c1ccc2ccc4ccc5ccc6ccc3c3c6c5c4c2c13

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HSD17B10 Q99714 7/20 0.52
CYP1A2 P05177 5/20 0.52
HPGD P15428 4/20 0.52
THRB P10828 1/20 0.52
FYN P06241 2/20 0.52
ACHE P22303 2/20 0.52
AHR P35869 2/20 0.52
ERBB2 P04626 1/20 0.52
MAOA P21397 1/20 0.52
CYP1B1 Q16678 2/20 0.46
HIF1A Q16665 2/20 0.46
HPRT1 P00492 3/20 0.43
TSHR P16473 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A1 P04798 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 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
SCHEMBL5478530 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5477697 0.95 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4852168 0.95 CYP1A2 (0.54) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4854579 0.91 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL11308487 0.90 ALDH1A1 (0.68) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5470318 0.87 CYP1A2 (0.62) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5471594 0.86 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL31148532 0.86 CYP1A2 (0.55) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5466424 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL987470 0.84 ALDH1A1 (0.75) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
EP-1359790-B1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CO (US) 2008-10-29 EP disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US disclosed
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
EP-1359790-A2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2003-11-05 EP disclosed
EP-0039085-A1 Process for increasing the solubility of aromatic systems Langhals, Heinz, Dr. (DE) 1981-11-04 EP disclosed
US-3968051-A VINYL RESIN, POLYAROMATIC MATERIAL AMERICAN CYANAMID COMPANY (US) 1976-07-06 US disclosed