SCHEMBL4380484

SCHEMBL4380484

CCc1c(OC)cc(O)c(-c2ccccc2)c1CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ACLY P53396 1/20 0.40
CNR2 P34972 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PDE4B Q07343 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ABCC1 P33527 1/20 0.38
HK2 P52789 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4385012 0.89 L3MBTL1 (0.39) ALDH1A1L3MBTL1ACLYCNR2HPGD
SCHEMBL4380942 0.88 L3MBTL1 (0.43) ALDH1A1L3MBTL1ACLYCNR2HPGD
SCHEMBL4380774 0.84 HPGD (0.39) ALDH1A1ACLYHPGDSMN1; SMN2NPC1
SCHEMBL4385993 0.83 L3MBTL1 (0.48) ALDH1A1L3MBTL1ACLYCNR2HPGD
SCHEMBL4384837 0.79 L3MBTL1 (0.44) ALDH1A1L3MBTL1ACLYCNR2HPGD
SCHEMBL4386658 0.78 L3MBTL1 (0.47) ALDH1A1L3MBTL1HPGDSMN1; SMN2NPC1
SCHEMBL4379880 0.78 EGFR (0.42) ALDH1A1L3MBTL1ACLYHPGDSMN1; SMN2
SCHEMBL4380714 0.78 HDAC4 (0.44) ALDH1A1ACLYCNR2HPGDSMN1; SMN2
SCHEMBL4387620 0.77 L3MBTL1 (0.43) ALDH1A1L3MBTL1ACLYCNR2HPGD
SCHEMBL4379801 0.77 L3MBTL1 (0.43) ALDH1A1L3MBTL1ACLYCNR2HPGD

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 ALDH1A1 3520/4885L3MBTL1 3218/4885ACLY 2383/4885

“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.