SCHEMBL960083

SCHEMBL960083

COc1ccc(CCOc2cncc(-c3cccc(C(=O)O)c3)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.49
NR1H4 Q96RI1 2/20 0.49
HTT P42858 1/20 0.48
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMO O15229 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL961218 0.92 NR1H4 (0.57) PTGDRNR1H4HTTPDE4APDE4B
SCHEMBL960347 0.85 PTGDR (0.53) PTGDRNR1H4HTTPDE4APDE4B
SCHEMBL958044 0.81 PTGDR (0.51) PTGDRHTTPDE4APDE4BPDE4C
SCHEMBL962179 0.81 F10 (0.51) MAPK1
SCHEMBL957828 0.79 PTGDR (0.55) PTGDRHTTPDE4APDE4BPDE4C
SCHEMBL26107274 0.78 KMO (0.59) MRGPRX4SMN1; SMN2KMO
SCHEMBL30637180 0.78 KMO (0.59) MRGPRX4SMN1; SMN2KMO
SCHEMBL958484 0.78 PTGDR (0.52) PTGDRHTTPDE4APDE4BPDE4C
SCHEMBL959128 0.78 PTGDR (0.54) PTGDRHTTPDE4APDE4BPDE4C
SCHEMBL5151529 0.73 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMRGPRX4

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 528/4885NR1H4 139/4885HTT 2718/4885

“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.