SCHEMBL4289266

SCHEMBL4289266

CC(C=CC=O)=CC=CC=C(C)C=CC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
ALOX15 P16050 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 3/20 0.54
RECQL P46063 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PTGS1 P23219 2/20 0.52
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 3/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
TP53 P04637 1/20 0.35
APP P05067 1/20 0.35
SNCA P37840 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
TRPA1 O75762 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2616641 1.00 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL21382128 0.97 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL13903766 0.97 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL13903777 0.97 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL13903782 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL13903775 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL4124094 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL4124093 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL27921687 0.88
SCHEMBL14542710 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15TDP1TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754807-A Crocetin and preparation method thereof 八叶草健康产业研究院(厦门)有限公司 2024-10-11 CN claimed
CN-118754807-A Crocetin and preparation method thereof 八叶草健康产业研究院(厦门)有限公司 2024-10-11 CN disclosed
WO-2019180638-A1 REGULATING PLANT GROWTH USING A DIAPOCAROTENOID KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-09-26 WO disclosed
US-8252977-B2 Polynucleotides encoding carotenoid and apocartenoid biosynthetic pathway enzymes in coffee NESTEC S. A. (CH) 2012-08-28 US disclosed
US-20090178156-A1 Polynucleotides encoding carotenoid and apocartenoid biosynthetic pathway enzymes in coffee NESTEC S.A. (CH) 2009-07-09 US disclosed
EP-1924695-A2 POLYNUCLEOTIDES ENCODING CAROTENOID AND APOCAROTENOID BIOSYNTHETIC PATHWAY Cornell University (US) 2008-05-28 EP disclosed
WO-2007028115-A2 POLYNUCLEOTIDES ENCODING CAROTENOID AND APOCAROTENOID BIOSYNTHETIC PATHWAY CORNELL UNIVERSITY (US) 2007-03-08 WO disclosed
US-4156100-A INTERMEDIATES FOR OPTICALLY ACTIVE CAROTENOIDS HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US disclosed
US-4095038-A INTERMEDIATES IN THE PRODUCTION OF CAROTENOIDS HOFFMANN-LA ROCHE INC. (US) 1978-06-13 US disclosed
US-4072715-A CAROTENOIDS HOFFMANN-LA ROCHE INC. (US) 1978-02-07 US disclosed
US-4026949-A INTERMEDIATES FOR CAROTENOIDS HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-3988205-A BY FERMENTATIVELY HYDROGENATING AND REDUCING KETOISOPHORONE HOFFMANN-LA ROCHE INC. (US) 1976-10-26 US disclosed