SCHEMBL4566997

SCHEMBL4566997

CCCOc1ccc(C(=O)OC)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MET P08581 4/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PLA2G2A P14555 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL22438767 0.95 MET (0.52) MAOBFFAR4METLMNAHPGD
SCHEMBL22439018 0.91 PTPN11 (0.55) MAOBFFAR4METPLA2G2AL3MBTL1
SCHEMBL22438874 0.91 PTPN11 (0.55) MAOBFFAR4METPLA2G2AL3MBTL1
SCHEMBL3962253 0.91 MAOB (0.61) MAOBFFAR4LMNAHPGDRAB9A
SCHEMBL7907433 0.90 FFAR4 (0.57) MAOBFFAR4METLMNAHPGD
SCHEMBL7908891 0.89 FFAR4 (0.56) MAOBFFAR4METLMNAHPGD
SCHEMBL21924287 0.88 MAOB (0.58) MAOBFFAR4LMNAHPGDRAB9A
SCHEMBL3201763 0.87 MAOB (0.57) MAOBFFAR4LMNAHPGDRAB9A
SCHEMBL11557673 0.87 KDM4E (0.60) MAOBFFAR4LMNAHPGDRAB9A
SCHEMBL30899820 0.86 MET (0.49) MAOBFFAR4METLMNAHPGD

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-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 US disclosed
US-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 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 (2 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-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, CDC37 MAOB 4249/4885FFAR4 4795/4885MET 3383/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MAOB 4279/4885FFAR4 4759/4885MET 2408/4885

“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.