SCHEMBL14018182

SCHEMBL14018182

Cc1coc2cc(Oc3ccc(C(F)(F)F)cc3OC(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.45
▸ KCNH2 Q12809 6/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ HTR2A P28223 5/20 0.36
▸ SLC6A4 P31645 5/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KIF11 P52732 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
SCHEMBL14018172 0.78 FFAR1 (0.45) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL4347585 0.78 FFAR1 (0.44) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL17324007 0.75 CA1 (0.40) MAPTKDM4EALDH1A1KIF11PPARD
SCHEMBL16959475 0.71 BACE1 (0.47) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL15958858 0.70 MEN1 (0.41) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL14018072 0.67 L3MBTL1 (0.42) FFAR1KCNH2CYP2C9MAPTKDM4E
SCHEMBL4446704 0.67 KIF11 (0.42) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14386487 0.66 FFAR1 (0.41) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL14018166 0.66 FFAR1 (0.48) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL14018169 0.66 FFAR1 (0.47) FFAR1KCNH2CYP2C9CACNA1CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 — — US disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 — — US disclosed
WO-2007136572-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 — — WO disclosed
WO-2007136573-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 — — WO disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 — — US disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 — — 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-20070265332-A1 Antidiabetic bicyclic compounds GPR119, GPR65, FFAR4 FFAR1 9/4885KCNH2 2585/4885CYP2C9 573/4885

“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.

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