SCHEMBL1849693

SCHEMBL1849693

COc1cccc(Cc2cc3cccc(-c4cccc(C(=O)O)c4)c3o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.46
VDR P11473 1/20 0.44
MEP1B Q16820 1/20 0.43
GPR35 Q9HC97 2/20 0.42
AKR1C3 P42330 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MMP13 P45452 1/20 0.42
PTGER1 P34995 1/20 0.42
CYP2C8 P10632 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PLA2G2A P14555 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
SCHEMBL3209922 0.87 GPR52 (0.49) GPR52MRGPRX4PKMRAB9ASMN1; SMN2
SCHEMBL3212711 0.85 GPR52 (0.55) GPR52RAB9APTGER1PLA2G2A
SCHEMBL1850210 0.84 GPR52 (0.49) GPR52MRGPRX4MEP1BPKMRAB9A
SCHEMBL1854347 0.84 GPR52 (0.56) GPR52MRGPRX4GPR35PTGER1PLA2G2A
SCHEMBL1855327 0.84 GPR52 (0.51) GPR52RAB9A
SCHEMBL7959088 0.82 TAS1R3 (0.53) GPR52MMP13
SCHEMBL1855057 0.82 GPR52 (0.54) GPR52AKR1C3PTGER1PLA2G2A
SCHEMBL1849964 0.81 GPR52 (0.75) GPR52MRGPRX4PKMPLA2G2A
SCHEMBL3211200 0.81 SMYD2 (0.57) GPR52
SCHEMBL1852323 0.81 GPR52 (0.49) GPR52TP53RAB9ASMN1; SMN2PTGER1

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885MRGPRX4 287/4885VDR 1170/4885

“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.