SCHEMBL16319097

SCHEMBL16319097

COC(=O)c1cnc(-c2cc(OC)ccc2F)c(OCC2CCOC(C)(C)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.40
GRM4 Q14833 4/20 0.39
POLB P06746 1/20 0.38
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
PDE4B Q07343 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 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
SCHEMBL16319287 0.92 FFAR1 (0.40) FFAR1GRM4PDE4B
SCHEMBL16319363 0.85 FFAR1 (0.39) FFAR1GRM4POLBKDM4EALDH1A1
SCHEMBL16319373 0.77 FFAR1 (0.39) FFAR1GRM4
SCHEMBL16319087 0.76 HPGDS (0.41) FFAR1PDE4B
SCHEMBL16319427 0.75 FFAR1 (0.44) FFAR1
SCHEMBL16319149 0.74 FFAR1 (0.47) FFAR1KDM4EALDH1A1
SCHEMBL16319021 0.71 XDH (0.45) FFAR1POLBKDM4EGAAMAPK1
SCHEMBL16319379 0.69 FFAR1 (0.51) FFAR1
SCHEMBL16319150 0.66 DHODH (0.38) FFAR1POLBKDM4EALDH1A1
SCHEMBL17418966 0.66 CTSA (0.41) 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 325/4885POLB 4573/4885

“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.