SCHEMBL16319363

SCHEMBL16319363

COc1ccc(F)c(-c2ncc(CO)cc2OCC2CCOC(C)(C)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.39
GRM4 Q14833 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
POLB P06746 1/20 0.33
EP300 Q09472 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL16319373 0.92 FFAR1 (0.39) FFAR1GRM4EP300BACE1BACE2
SCHEMBL16319097 0.85 FFAR1 (0.40) FFAR1GRM4KDM4EALDH1A1GAA
SCHEMBL16319287 0.77 FFAR1 (0.40) FFAR1GRM4
SCHEMBL16319047 0.75 NPC1 (0.43) FFAR1
SCHEMBL16319387 0.74 FFAR1 (0.42) FFAR1
SCHEMBL16319379 0.72 FFAR1 (0.51) FFAR1
SCHEMBL16319296 0.67 FFAR1 (0.41) FFAR1
SCHEMBL16319122 0.64 FFAR1 (0.39) FFAR1ALDH1A1GAA
SCHEMBL16319322 0.64 FFAR1 (0.36) FFAR1
SCHEMBL3715661 0.64 FFAR1 (0.42) FFAR1

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
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 FFAR1 31/4885GRM4 325/4885KDM4E 2012/4885

“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.