SCHEMBL18940280

SCHEMBL18940280

CC1(C)OB(c2cccc(COc3ccc4c(c3)CC3C(C(=O)O)C43)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.44
DGAT1 O75907 1/20 0.39
TDP2 O95551 1/20 0.38
LIPG Q9Y5X9 2/20 0.38
LPL P06858 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HIF1A Q16665 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL18940305 1.00 FFAR1 (0.44) FFAR1DGAT1TDP2LIPGLPL
SCHEMBL29423919 0.89 FFAR1 (0.41) FFAR1TDP2LIPGLPLPOLB
SCHEMBL29423893 0.89 FFAR1 (0.41) FFAR1TDP2LIPGLPLPOLB
SCHEMBL16846002 0.89 FFAR1 (0.41) FFAR1TDP2LIPGLPLPOLB
SCHEMBL16875826 0.87 FFAR1 (0.55) FFAR1DGAT1TDP2LIPGLPL
SCHEMBL18940304 0.85 FFAR1 (0.43) FFAR1
SCHEMBL23927778 0.85 FFAR1 (0.43) FFAR1DGAT1HIF1A
SCHEMBL18940306 0.85 FFAR1 (0.43) FFAR1DGAT1HIF1A
SCHEMBL18940276 0.85 FFAR1 (0.43) FFAR1DGAT1HIF1A
SCHEMBL18940297 0.81 FFAR1 (0.50) FFAR1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 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 (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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 FFAR1 13/4885DGAT1 95/4885TDP2 4283/4885

“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.