SCHEMBL958328

SCHEMBL958328

O=C(O)c1cccc(-c2cccc(OCCc3cccc(F)c3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.57
NR4A2 P43354 3/20 0.50
MRGPRX4 Q96LA9 3/20 0.46
KMO O15229 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
PPARG P37231 1/20 0.43
LTB4R Q15722 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PPARA Q07869 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
PTGDR Q13258 1/20 0.41

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
SCHEMBL958231 0.86 GPR52 (0.53) GPR52MRGPRX4KMONR1H4LTB4R
SCHEMBL960607 0.86 GPR52 (0.74) GPR52NR4A2MRGPRX4KMOKDM4C
SCHEMBL961439 0.84 GPR52 (0.52) GPR52MRGPRX4KDM4CKDM5AKDM5B
SCHEMBL959767 0.84 GPR52 (0.80) GPR52
SCHEMBL957828 0.81 PTGDR (0.55) GPR52MRGPRX4PTGDR
SCHEMBL961663 0.81 GPR52 (0.64) GPR52
SCHEMBL960541 0.81 GPR52 (0.54) GPR52
SCHEMBL12420751 0.80 KDM5A (0.57) NR4A2MRGPRX4KDM4CKDM5AKDM5B
SCHEMBL963457 0.76 PTGDR (0.54) GPR52NR4A2MRGPRX4KMOPTGDR
SCHEMBL958255 0.73 GPR52 (0.56) GPR52NR1H4LTB4R

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 GPR52 23/4885NR4A2 8/4885MRGPRX4 133/4885

“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.