SCHEMBL963457

SCHEMBL963457

O=C(O)c1cccc(-c2cccc(OCCc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.54
NR4A2 P43354 2/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
GPR52 Q9Y2T5 2/20 0.49
MRGPRX4 Q96LA9 4/20 0.49
EIF4EBP1 Q13541 4/20 0.47
F10 P00742 1/20 0.43
PDPK1 O15530 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PTGER1 P34995 2/20 0.42
CYP2C9 P11712 1/20 0.42
KMO O15229 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
SCHEMBL958209 0.90 NR4A2 (0.63) PTGDRNR4A2NR4A1NR4A3MRGPRX4
SCHEMBL960128 0.82 CNR2 (0.56) PTGDRGPR52NPC1RAB9AL3MBTL1
SCHEMBL6066388 0.80 NR4A2 (0.76) NR4A2NR4A1NR4A3MRGPRX4F10
SCHEMBL963739 0.80 F10 (0.62) GPR52F10
SCHEMBL959319 0.79 MRGPRX4 (0.61) PTGDRNR4A2NR4A1NR4A3MRGPRX4
SCHEMBL960405 0.77 S1PR4 (0.45) NR4A2NR4A1NR4A3F10NPC1
SCHEMBL960125 0.76 PTGDR (0.57) PTGDRNR4A2NR4A1NR4A3MRGPRX4
SCHEMBL958328 0.76 GPR52 (0.57) PTGDRNR4A2GPR52MRGPRX4KMO
SCHEMBL958231 0.76 GPR52 (0.53) GPR52MRGPRX4KMO
SCHEMBL961439 0.75 GPR52 (0.52) GPR52MRGPRX4RAB9A

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 2 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 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 PTGDR 528/4885NR4A2 8/4885NR4A1 25/4885

“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.