SCHEMBL4380947

SCHEMBL4380947

CCC(C(=O)OC)c1cc(O)cc(O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 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
SCHEMBL4386663 0.87 ESR1 (0.47) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL4380721 0.87 AKR1C3 (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2NPSR1
SCHEMBL4382000 0.83 PTPN1 (0.40) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4379804 0.81 PDE4B (0.41) CNR2MAPTNPSR1MEN1KMT2A
SCHEMBL4387624 0.81 PDE4B (0.41) CNR2MAPTNPSR1MEN1KMT2A
SCHEMBL4394066 0.80 PDE4B (0.40) CNR2MAPTALDH1A1NPSR1MEN1
SCHEMBL4388415 0.80 LMNA (0.44) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4378339 0.79 KMT2A (0.40) CNR2MAPTALDH1A1LMNARAB9A
SCHEMBL9128636 0.76 ESR1 (0.46) NR1H2NR1H3MAPTALDH1A1HPGD
SCHEMBL9429632 0.75 TSHR (0.52) MAPTALDH1A1HPGDKDM4ELMNA

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CNR2 1898/4885NR1H2 474/4885NR1H3 606/4885

“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.