SCHEMBL17518896

SCHEMBL17518896

COc1cc(C)c(-c2cccc(-c3cc4cc(CCC(=O)O)ccc4o3)c2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 1.00
CYP26A1 O43174 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
CYP2C8 P10632 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR3 Q99500 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL22450986 0.86 FFAR1 (0.76) FFAR1CYP26A1CYP26B1CYP2C8MAOB
SCHEMBL19167974 0.82 FFAR1 (1.00) FFAR1CYP26A1CYP26B1CYP2C8FFAR4
SCHEMBL19137125 0.80 FFAR1 (1.00) FFAR1CYP26A1CYP26B1MAOBMAOA
SCHEMBL19166171 0.80 FFAR1 (1.00) FFAR1CYP26A1CYP26B1MAOBMAOA
SCHEMBL19166584 0.79 FFAR1 (1.00) FFAR1CYP26A1CYP26B1FFAR4MAOB
SCHEMBL1745020 0.79 FFAR1 (0.77) FFAR1CYP26A1CYP26B1FFAR4MAOB
SCHEMBL17518890 0.79 FFAR1 (1.00) FFAR1CYP26A1CYP26B1
SCHEMBL3013456 0.78 CYP2C8 (0.68) FFAR1CYP26A1CYP26B1CYP2C8MAOB
SCHEMBL3012615 0.76 FFAR1 (0.63) FFAR1CYP2C8ALOX5
SCHEMBL17667824 0.74 FFAR1 (0.60) FFAR1CYP2C8

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 4 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
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
WO-2016022446-A1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 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-20170210727-A1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS GPR119, GPR55, GPR65 FFAR1 13/4885CYP26A1 1205/4885CYP26B1 883/4885

“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.