SCHEMBL4159036

SCHEMBL4159036

C#CC(C)(C)Oc1ccc(Br)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
GFER P55789 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
SLC6A3 Q01959 1/20 0.38
ELANE P08246 1/20 0.38
ALPL P05186 1/20 0.37
TSHR P16473 1/20 0.37
STAT3 P40763 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4159186 0.83 ABL1 (0.47) NR4A2ALDH1A1MAPTL3MBTL1SLC6A3
SCHEMBL3940836 0.83 ELANE (0.38) ALDH1A1GAASMN1; SMN2MAPTL3MBTL1
SCHEMBL30694764 0.80 HSD17B10 (0.51) HSD17B10NR4A2ALDH1A1GAASMN1; SMN2
SCHEMBL3943968 0.80 HSD17B10 (0.51) HSD17B10NR4A2ALDH1A1GAASMN1; SMN2
SCHEMBL4737021 0.78 ELANE (0.34) ALDH1A1SMN1; SMN2MAPTL3MBTL1ELANE
SCHEMBL29013903 0.78 NOTUM (0.50) HSD17B10ALDH1A1GAAMAPTCYP1A2
SCHEMBL21955375 0.77 NOTUM (0.49) HSD17B10ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL392403 0.77 ALDH1A1 (0.59) HSD17B10NR4A2ALDH1A1GAASMN1; SMN2
SCHEMBL30361998 0.77 ALDH1A1 (0.59) HSD17B10NR4A2ALDH1A1GAASMN1; SMN2
SCHEMBL14027049 0.76 HPGD (0.50) HSD17B10NR4A2ALDH1A1GAASMN1; SMN2

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-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-2001872-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO 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 (1 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-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists PTGER1, PTGER2, PTGER3 HSD17B10 2310/4885NR4A2 332/4885ALDH1A1 337/4885

“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.