SCHEMBL17166185

SCHEMBL17166185

CCc1cc(-c2c[nH]c(=O)n2-c2cccc3ccccc23)c(OC)cc1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CNR2 P34972 1/20 0.35
PDGFRB P09619 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
ELANE P08246 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL14525271 0.91 L3MBTL1 (0.38) L3MBTL1GSK3AGSK3BCNR2PDGFRB
SCHEMBL4949578 0.82 HSP90AA1 (0.38) GSK3AGSK3BHCAR1ELANETDP1
SCHEMBL7005430 0.65 CAMK2D (0.59)
SCHEMBL12045810 0.64 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL29326398 0.63 ALDH1A1 (0.52) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL13983472 0.62 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL1149708 0.62 HSP90AA1 (0.38) GSK3AGSK3BELANETDP1MAPT
SCHEMBL15339323 0.61 PDE4A (0.55) MAPTMEN1KMT2A
SCHEMBL8931037 0.61 HSP90AA1 (0.46) HCAR1TDP1MAPTGAAALDH1A1
SCHEMBL11051826 0.60 TDP1 (0.53) GSK3AGSK3BHCAR1ELANETDP1

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-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 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 (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-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 L3MBTL1 1942/4885GSK3A 1591/4885GSK3B 1434/4885

“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.