SCHEMBL4380267

SCHEMBL4380267

CCc1c(CCOCC2CO2)cc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
PIN1 Q13526 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOB P27338 1/20 0.35
ABCB1 P08183 2/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPK14 Q16539 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL4382657 0.83 ALDH1A1 (0.35) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL4384147 0.82 ALDH1A1 (0.34) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL4386208 0.79 KDM4C (0.42) MEN1KMT2AL3MBTL1
SCHEMBL4380772 0.77 CYP4F2 (0.51) TDP1PIN1MEN1KMT2AMAOB
SCHEMBL10024632 0.72 TDP1 (0.66) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL4379037 0.71 MAOB (0.43) TDP1PIN1ALDH1A1MEN1KMT2A
SCHEMBL4380201 0.71 PIN1 (0.36) TDP1PIN1MAOBABCB1HTR1A
SCHEMBL7519513 0.70 MEN1 (0.58) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL2549889 0.70 MEN1 (0.58) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL27926923 0.70 MEN1 (0.58) TDP1ALDH1A1GLAMEN1KMT2A

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 TDP1 2978/4885PIN1 1602/4885ALDH1A1 3520/4885

“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.