SCHEMBL16319373

SCHEMBL16319373

COc1ccc(F)c(-c2ncc(CO)cc2OCC2COC(C)(C)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.39
KDM1A O60341 1/20 0.36
GRM4 Q14833 1/20 0.34
CACNA1H O95180 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
EP300 Q09472 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
SCHEMBL16319363 0.92 FFAR1 (0.39) FFAR1GRM4BACE1BACE2EP300
SCHEMBL16319287 0.85 FFAR1 (0.40) FFAR1KDM1AGRM4PIM1PIM3
SCHEMBL16319379 0.78 FFAR1 (0.51) FFAR1
SCHEMBL16319097 0.77 FFAR1 (0.40) FFAR1GRM4
SCHEMBL16319387 0.76 FFAR1 (0.42) FFAR1KDM1A
SCHEMBL16319047 0.74 NPC1 (0.43) FFAR1
SCHEMBL16319296 0.69 FFAR1 (0.41) FFAR1KDM1APIM1
SCHEMBL16319122 0.66 FFAR1 (0.39) FFAR1KDM1APIM1
SCHEMBL16319322 0.66 FFAR1 (0.36) FFAR1KDM1ACNR1CNR2
SCHEMBL17418840 0.65 USP7 (0.41) FFAR1KDM1A

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 31/4885KDM1A 1832/4885GRM4 325/4885

“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.