SCHEMBL19137125

SCHEMBL19137125

COc1cc(C)c(-c2cccc(-c3cc4cc(CCC(=O)O)ccc4o3)c2)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 1.00
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
CYP26A1 O43174 1/20 0.48
CYP26B1 Q9NR63 1/20 0.48
VDR P11473 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL17518890 0.90 FFAR1 (1.00) FFAR1CYP26A1CYP26B1
SCHEMBL19166171 0.88 FFAR1 (1.00) FFAR1MAOBMAOACYP26A1CYP26B1
SCHEMBL1745020 0.87 FFAR1 (0.77) FFAR1MAOBMAOACYP26A1CYP26B1
SCHEMBL22450982 0.85 FFAR1 (0.74) FFAR1MAOBMAOACYP26A1CYP26B1
SCHEMBL19166584 0.83 FFAR1 (1.00) FFAR1MAOBMAOACYP26A1CYP26B1
SCHEMBL19166194 0.83 FFAR1 (1.00) FFAR1CYP26A1CYP26B1
SCHEMBL1747131 0.82 FFAR1 (0.73) FFAR1MAOBMAOA
SCHEMBL17518896 0.80 FFAR1 (1.00) FFAR1MAOBMAOACYP26A1CYP26B1
SCHEMBL17495222 0.80 FFAR1 (0.77) FFAR1MAOBMAOACYP26A1CYP26B1
SCHEMBL22450988 0.79 FFAR1 (0.69) FFAR1MAOBMAOACYP26A1CYP26B1

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
EP-3177285-B1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
EP-3177285-B1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
US-10100042-B2 [5,6]—fused bicyclic antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2018-10-16 US disclosed
US-20170210727-A1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-07-27 US disclosed
US-20170210727-A1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-07-27 US disclosed
US-20170210727-A1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-07-27 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-20170210727-A1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS GPR119, GPR55, GPR65 FFAR1 13/4885MAOB 4321/4885MAOA 4333/4885
US-10100042-B2 [5,6]—fused bicyclic antidiabetic compounds GPR119, GPR55, GPR65 FFAR1 14/4885MAOB 4355/4885MAOA 4364/4885

“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.