SCHEMBL959147

SCHEMBL959147

COc1ccc(CCOc2cccc(-c3cccc(N)c3)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
CD63 P08962 1/20 0.42
SYK P43405 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
NTRK1 P04629 1/20 0.41
KIT P10721 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
EBP Q15125 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MAPT P10636 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL960136 0.86 GPR52 (0.48) SYKMAPTGPR52MEN1KMT2A
SCHEMBL957828 0.84 PTGDR (0.55) KDM4EMAPTGPR52KMT2AHTT
SCHEMBL959834 0.82 L3MBTL1 (0.52) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL12919092 0.81 GPR52 (0.56) KDM4EMAPTGPR52MEN1NPC1
SCHEMBL12919048 0.81 GPR52 (0.53) SYKMAPTGPR52ALDH1A1PTGDR
SCHEMBL958178 0.80 ALDH1A1 (0.61) KITMAPTMEN1NPC1RAB9A
SCHEMBL962234 0.80 NPC1 (0.49) KDM4EMAPTGPR52NPC1HTT
SCHEMBL12919070 0.80 GPR52 (0.54) KDM4EMAPTGPR52MEN1KMT2A
SCHEMBL964253 0.79 GPR52 (0.56) KDM4EMAPTGPR52MEN1KMT2A
SCHEMBL12947769 0.79 MAPK1 (0.51) KDM4EMAPTGPR52KDRMEN1

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
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
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 CYP19A1 946/4885CD63 4465/4885SYK 1390/4885

“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.