SCHEMBL5470702

SCHEMBL5470702

O/N=C1\CCCc2ccc(Oc3ccccc3)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK14 Q16539 1/20 0.41
ROCK2 O75116 1/20 0.41
GRK2 P25098 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
BRAF P15056 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
LTA4H P09960 1/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37
PDK2 Q15119 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL5470704 1.00 HPGD (0.53) HPGDL3MBTL1MAPK14ROCK2GRK2
SCHEMBL9488827 0.88 HPGD (0.53) HPGDL3MBTL1MAPK14ROCK2GRK2
SCHEMBL9488570 0.81 MAOA (0.66) HPGDL3MBTL1MAOAMAOBHRH3
SCHEMBL17310722 0.81 MAOA (0.66) HPGDL3MBTL1MAOAMAOBHRH3
SCHEMBL2688155 0.80 MAPT (0.57) HPGDL3MBTL1KDM4EMAPTBRAF
SCHEMBL2688152 0.80 MAPT (0.57) HPGDL3MBTL1KDM4EMAPTBRAF
SCHEMBL2688150 0.80 MAPT (0.57) HPGDL3MBTL1KDM4EMAPTBRAF
SCHEMBL5466597 0.77 HPGD (0.57) HPGDL3MBTL1KDM4EALDH1A1
SCHEMBL7590260 0.77 MAOA (0.65) MAPK14MAOAMAOBHRH3
SCHEMBL5466595 0.77 HPGD (0.57) HPGDL3MBTL1KDM4EALDH1A1

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-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 HPGD 375/4885L3MBTL1 1747/4885MAPK14 3041/4885

“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.