SCHEMBL16319386

SCHEMBL16319386

COC(=O)c1cc(OCC(C)C)c(-c2cc(OC)ccc2F)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.43
FFAR1 O14842 2/20 0.41
PTGES O14684 1/20 0.39
XDH P47989 1/20 0.38
GRK6 P43250 1/20 0.37
DHODH Q02127 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
TGFBR1 P36897 1/20 0.36
IDH2 P48735 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL16319266 0.89 FFAR1 (0.44) CTSAFFAR1XDHGRK6DHODH
SCHEMBL16319427 0.81 FFAR1 (0.44) CTSAFFAR1XDHDHODHIDH2
SCHEMBL16319385 0.74 FFAR1 (0.42) CTSAFFAR1PTGESGRK6DHODH
SCHEMBL16318846 0.74 FFAR1 (0.43) CTSAFFAR1PTGESXDHGRK6
SCHEMBL16319387 0.73 FFAR1 (0.42) CTSAFFAR1IDH2
SCHEMBL16319092 0.71 AR (0.39) FFAR1XDHDHODHKMT2APOLB
SCHEMBL17418806 0.69 FFAR1 (0.50) CTSAFFAR1DHODHIDH2
SCHEMBL19440642 0.69 NPC1 (0.43) CTSAXDHRAB9APLA2G2A
SCHEMBL16318848 0.69 PTPN1 (0.43) CTSAPTGESGRK6MEN1KMT2A
SCHEMBL16319368 0.68 FFAR1 (0.39) FFAR1GRK6DHODHKDM4ECYP2C9

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 CTSA 3367/4885FFAR1 31/4885PTGES 2344/4885

“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.