SCHEMBL2006487

SCHEMBL2006487

CCOC(=O)c1c(C2CCCC2)noc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.40
HSD17B10 Q99714 3/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4D Q08499 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CSNK1D P48730 1/20 0.36
CACNA1F O60840 1/20 0.35

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
SCHEMBL19900847 0.97 ADORA3 (0.39) ADORA3HSD17B10TSHRALDH1A1HTT
SCHEMBL19900019 0.88 TSHR (0.37) HSD17B10TSHRALDH1A1HTTGAA
SCHEMBL285476 0.87 L3MBTL1 (0.45) ADORA3HSD17B10TSHRALDH1A1HTT
SCHEMBL31526291 0.86 L3MBTL1 (0.44) ADORA3HSD17B10TSHRALDH1A1HTT
SCHEMBL285668 0.86 L3MBTL1 (0.44) ADORA3HSD17B10TSHRALDH1A1HTT
SCHEMBL19899876 0.85 NR1H4 (0.42) HSD17B10TSHRALDH1A1HTTGAA
SCHEMBL1999783 0.81 HSD17B10 (0.36) ADORA3HSD17B10TSHRALDH1A1HTT
SCHEMBL29010762 0.77 TSHR (0.36) HSD17B10TSHRALDH1A1HTTGAA
SCHEMBL17843213 0.77 TSHR (0.39) HSD17B10TSHRALDH1A1HTTGAA
SCHEMBL2775492 0.77 ALDH1A1 (0.38) ADORA3HSD17B10TSHRALDH1A1HTT

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
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ADORA3 253/4885HSD17B10 492/4885TSHR 486/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 ADORA3 253/4885HSD17B10 492/4885TSHR 486/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.