SCHEMBL16319149

SCHEMBL16319149

COC(=O)c1cnc(-c2cc(OC)ccc2F)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
PTGER1 P34995 1/20 0.45
LRRK2 Q5S007 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MTNR1B P49286 2/20 0.44
HDAC8 Q9BY41 2/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MTNR1A P48039 2/20 0.43
CTSA P10619 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16319427 0.83 FFAR1 (0.44) FFAR1CTSA
SCHEMBL28496944 0.80 HPGD (0.54) LMNAHPGDHDAC8SMPD1HDAC1
SCHEMBL16319021 0.79 XDH (0.45) FFAR1LMNAHPGDKDM4E
SCHEMBL22502075 0.79 HPGD (0.56) LRRK2LMNAHPGDHDAC8SMPD1
SCHEMBL3721195 0.76 HPGD (0.58) PTGER1LMNAHPGDHDAC8SMPD1
SCHEMBL16319111 0.76 FFAR1 (0.39) FFAR1LRRK2
SCHEMBL16319287 0.76 FFAR1 (0.40) FFAR1
SCHEMBL16319378 0.74 HPGD (0.56) PTGER1LRRK2LMNAHPGDHDAC8
SCHEMBL20201939 0.74 KMT2A (0.56) FFAR1LMNAHDAC8SMPD1HDAC1
SCHEMBL17499909 0.74 MAP4K4 (0.60) LMNAHPGDHDAC8SMPD1HDAC1

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 31/4885CSNK2A2 3955/4885CSNK2A1 3878/4885

“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.