SCHEMBL958341

SCHEMBL958341

COc1ccc(CCOc2cccc(-c3cccc(C(=O)NC4CC4)c3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.51
PTGDR Q13258 1/20 0.47
MCHR1 Q99705 1/20 0.46
MEN1 O00255 1/20 0.46
EPHX1 P07099 1/20 0.46
KMT2A Q03164 1/20 0.46
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MAP4K4 O95819 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
PDPK1 O15530 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK1 P28482 1/20 0.43
ERN1 O75460 1/20 0.42
MMP2 P08253 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
SCHEMBL961648 0.94 GPR52 (0.48) GPR52PTGDRMCHR1MEN1EPHX1
SCHEMBL12919048 0.88 GPR52 (0.53) GPR52PTGDRMAP4K4TP53POLB
SCHEMBL12919063 0.87 GPR52 (0.60) GPR52PTGDRMEN1KMT2ATP53
SCHEMBL957828 0.86 PTGDR (0.55) GPR52PTGDRKMT2APOLB
SCHEMBL12919059 0.86 GPR52 (0.69) GPR52MEN1KMT2AMAP4K4TP53
SCHEMBL964253 0.86 GPR52 (0.56) GPR52PTGDRMEN1KMT2ATP53
SCHEMBL12919052 0.85 GPR52 (0.58) GPR52PTGDRMEN1KMT2ATLR9
SCHEMBL12919050 0.85 GPR52 (0.62) GPR52PTGDRMEN1KMT2ATP53
SCHEMBL12919049 0.85 GPR52 (0.57) GPR52TP53POLBROCK2MAPK1
SCHEMBL12919055 0.85 GPR52 (0.57) GPR52PTGDRMEN1KMT2ATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US claimed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP claimed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 GPR52 23/4885PTGDR 528/4885MCHR1 317/4885

“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.