SCHEMBL5440356

SCHEMBL5440356

COc1ccccc1-c1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.60
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
AKT2 P31751 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTR7 P34969 3/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41

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
SCHEMBL5439157 0.86 HSP90AA1 (0.58) HSP90AA1HSD17B10PKMAKT2CLK2
SCHEMBL5431271 0.85 HSP90AA1 (0.57) HSP90AA1HSD17B10PKMKDM4EALDH1A1
SCHEMBL5440403 0.85 HSP90AA1 (0.69) HSP90AA1KDM4EAKT2CLK2DYRK1A
SCHEMBL5430292 0.84 HSP90AA1 (0.64) HSP90AA1ALDH1A1AKT2CLK2DYRK1A
SCHEMBL5440392 0.82 HSP90AA1 (0.62) HSP90AA1AKT2CLK2DYRK1ACLK4
SCHEMBL5440420 0.81 HSP90AA1 (0.76) HSP90AA1KDM4EAKT2CLK2DYRK1A
SCHEMBL5438573 0.81 HSP90AA1 (0.60) HSP90AA1KDM4EAKT2CLK2DYRK1A
SCHEMBL5430102 0.81 HSP90AA1 (0.63) HSP90AA1KDM4EAKT2CLK2DYRK1A
SCHEMBL5437772 0.80 HSP90AA1 (0.69) HSP90AA1KDM4EHPGDAKT2CLK2
SCHEMBL5433928 0.80 HSP90AA1 (0.62) HSP90AA1AKT2CLK2DYRK1ACLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105862-A1 Heat-shock protein binders ABBOTT LABORATORIES 2007-05-10 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-20070105862-A1 Heat-shock protein binders HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 5/4885HSD17B10 1671/4885PKM 3927/4885

“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.