SCHEMBL4379839

SCHEMBL4379839

CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGIR P43119 8/20 0.34
PTPN1 P18031 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
USP7 Q93009 2/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
FBP1 P09467 1/20 0.32
FABP3 P05413 1/20 0.32

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
SCHEMBL4379007 0.91 ADORA2A (0.44) ADORA2ACNR2POLBRECQLSMN1; SMN2
SCHEMBL4392482 0.86 PTGIR (0.36) PTGIRUSP7
SCHEMBL4379268 0.86 PTGIR (0.42) SMN1; SMN2PTGIR
SCHEMBL4384125 0.85 PTGIR (0.39) PTGIR
SCHEMBL4384129 0.84 PTGIR (0.41) CNR2PTGIR
SCHEMBL4388328 0.83 GCGR (0.39) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4393955 0.80 PTGIR (0.39) CNR2SMN1; SMN2PTGIRFBP1
SCHEMBL4384200 0.79 EGFR (0.38) ADORA2APTGIRPTPN1FABP4FABP5
SCHEMBL4392464 0.75 GCGR (0.37) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4386191 0.73 POLB (0.42) CNR2POLBRECQLSMN1; SMN2ESR1

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 ADORA2A 3962/4885CNR2 1898/4885POLB 3913/4885

“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.