SCHEMBL958231

SCHEMBL958231

Cc1cccc(CCOc2cccc(-c3cccc(C(=O)O)c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.53
KMO O15229 2/20 0.45
AKR1C3 P42330 1/20 0.45
EGFR P00533 1/20 0.45
CSF1R P07333 1/20 0.45
NR1H4 Q96RI1 3/20 0.43
MRGPRX4 Q96LA9 5/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HIF1A Q16665 1/20 0.41
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
LTB4R Q15722 1/20 0.40

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
SCHEMBL961439 0.87 GPR52 (0.52) GPR52AKR1C3NR1H4MRGPRX4CYP4F2
SCHEMBL958328 0.86 GPR52 (0.57) GPR52KMONR1H4MRGPRX4CYP4F2
SCHEMBL959337 0.84 GPR52 (0.75) GPR52
SCHEMBL957828 0.84 PTGDR (0.55) GPR52MRGPRX4
SCHEMBL960607 0.84 GPR52 (0.74) GPR52KMOMRGPRX4LTB4R
SCHEMBL963056 0.81 GPR52 (0.51) GPR52NR1H4
SCHEMBL963457 0.76 PTGDR (0.54) GPR52KMOMRGPRX4
SCHEMBL3402485 0.76 GPR52 (0.61) GPR52
SCHEMBL958255 0.75 GPR52 (0.56) GPR52NR1H4LTB4R
SCHEMBL960136 0.75 GPR52 (0.48) GPR52

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 23/4885KMO 2196/4885AKR1C3 2296/4885

“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.