SCHEMBL5555424

SCHEMBL5555424

c1ccc2c(c1)c1c(c3ccccc32)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
HPRT1 P00492 1/20 0.40
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP2A6 P11509 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 3/20 0.36
HPGD P15428 3/20 0.36
THRB P10828 1/20 0.36
IDO1 P14902 1/20 0.35
GPR3 P46089 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
PGAM1 P18669 1/20 0.33
MAOA P21397 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
SCHEMBL19916877 0.82 CYP1A2 (0.41) GPR84HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL1128910 0.82 ALDH1A1 (0.42) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL6804727 0.78 KDM4E (0.39) GPR84ALDH1A1HSD17B10TDP1TSHR
SCHEMBL29975451 0.78 KDM4E (0.39) GPR84ALDH1A1HSD17B10TDP1TSHR
SCHEMBL19766245 0.76 HPRT1 (0.46) GPR84HPRT1ALDH1A1HSD17B10CYP2A6
Triphenylene SCHEMBL311118 0.76 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL31467394 0.76 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Triphenylene SCHEMBL25597 0.76 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL1006251 0.76 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL30977781 0.76 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60233029-A None JP disclosed
JP-56012335-A None JP disclosed
EP-2013619-B1 METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS & OTHER CHEMICALS WISCONSIN ALUMNI RES FOUND (US) 2017-10-11 EP disclosed
US-20140255969-A1 REAGENTS AND METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS AND OTHER CHEMICALS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-11 US disclosed
US-8703483-B2 Reagents and methods for using human embryonic stem cells to evaluate toxicity of pharmaceutical compounds and other chemicals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-04-22 US disclosed
US-20070248947-A1 Reagents and Methods for Using Human Embryonic Stem Cells to Evaluate Toxicity of Pharmaceutical Compounds and Other Chemicals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 US disclosed
US-6290958-B1 THERAPEUTIC COMPOSITIONS TO PROTECT ANIMALS FROM HEMATOPHAGOUS ARTHROPOD INFESTATION. HESKA CORPORATION 2001-09-18 US disclosed
US-6153397-A PROTEIN HAVING DEFINED AMINO ACID AND NUCLEOTIDE SEQUENCES; DRUG SCREENING OF PARASITICIDES; VACCINES; VETERINARY MEDICINE HESKA CORPORATION (US) 2000-11-28 US disclosed
US-6143542-A NUCLEOTIDE SEQUENCES THAT CODE AN ENZYMATIC PROTEIN; FOR DETECTING MODULATORS OF ENZYME ACTIVITY; FOR THE PREVENTION OF INSECT INFESTATION HESKA CORPORATION (US) 2000-11-07 US disclosed
US-6037160-A NUCLEOTIDE SEQUENCE THAT CODES FOR AN INSECT HYDROLYTIC ENZYME; TO REDUCE INSECT PARASITIC INFESTATION IN ANIMALS; FOR DEVELOPMENT OF VACCINES TO PREVENT PARASITIC INFESTATION IN ANIMALS HESKA CORPORATION (US) 2000-03-14 US disclosed
WO-1999031253-A2 NOVEL FLEA EPOXIDE HYDROLASE NUCLEIC ACID MOLECULES, PROTEINS AND USES THEREOF HESKA CORPORATION (US) 1999-06-24 WO disclosed
US-5808115-A Carbodiimide-promoted epoxidation of olefins UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 1998-09-15 US disclosed
JP-S60233029-A PREPARATION OF 9,10-PHENANTHRENEQUINONE NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1985-11-19 JP disclosed
JP-S5612335-A PREPARATION OF 9,10-PHENANTHRENEQUINONE NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1981-02-06 JP disclosed