SCHEMBL4381829

SCHEMBL4381829

COCCc1c(-c2ccccc2)c(OCOC)cc(OCOC)c1C(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ADRB2 P07550 2/20 0.32
RECQL P46063 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CAPN1 P07384 1/20 0.31
GCGR P47871 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MCHR1 Q99705 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL4386583 0.91 EGFR (0.36) EGFRTP53ADRB2PDE4APDE4B
SCHEMBL4381493 0.91 EGFR (0.36) EGFRTP53ADRB2
SCHEMBL4381045 0.90 EGFR (0.37) EGFRTP53LMNAADRB2RECQL
SCHEMBL2866758 0.89 BRD4 (0.37) EGFRTP53HPGDADRB2KDM4E
SCHEMBL4381322 0.84 EGFR (0.40) EGFRTP53ADRB2PDE4APDE4B
SCHEMBL4395195 0.82 EGFR (0.40) EGFRTP53KDM4ECAPN1L3MBTL1
SCHEMBL2864914 0.82 EGFR (0.37) EGFRTP53HPGDADRB2KDM4E
SCHEMBL4379642 0.82 EGFR (0.37) EGFRTP53ADRB2KDM4EGCGR
SCHEMBL4381558 0.81 EGFR (0.45) EGFRTP53KDM4EL3MBTL1MEN1
SCHEMBL4384182 0.81 EGFR (0.40) EGFRTP53ALDH1A1LMNAHPGD

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 EGFR 624/4885TP53 918/4885ALDH1A1 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.