SCHEMBL5552912

SCHEMBL5552912

O=Cc1ccc(/C=C/C=C/C=C/c2ccc(C=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.55
CYP2A6 P11509 4/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.48
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.46
TYR P14679 1/20 0.44
CYP2A13 Q16696 1/20 0.44
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41

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
SCHEMBL1308773 0.86 ALDH1A1 (0.65) APPCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL1308775 0.86 ALDH1A1 (0.65) APPCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL806367 0.84 CYP2A6 (0.58) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL9004500 0.84 CYP2A6 (0.58) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4195177 0.84 CYP2A6 (0.58) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4195180 0.84 CYP2A6 (0.58) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL9004502 0.84 CYP2A6 (0.58) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4956384 0.80 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL31171 0.80 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL2643111 0.79 CYP1A2 (0.51) APPHSD17B10ALDH5A1ABATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11412909-B2 Device with indicator CAREFUSION 2200, INC. (US) 2022-08-16 US disclosed
US-20220133120-A1 DEVICE WITH INDICATOR CAREFUSION 2200, INC. 2022-05-05 US disclosed
US-7223988-B2 Color tunable photoluminescent blends CASE WESTERN RESERVE UNIVERSITY (US) 2007-05-29 US disclosed
US-20060108564-A1 Color tunable photoluminescent blends LOWE CHRISTIANE 2006-05-25 US disclosed
WO-2004000970-A1 COLOR TUNABLE PHOTOLUMINESCENT BLENDS CASE WESTERN RESERVE UNIVERSITY (US) 2003-12-31 WO disclosed