SCHEMBL4392453

SCHEMBL4392453

CCc1c(OCOC)cc(OCOC)c(-c2ncc(-c3ccccc3)o2)c1CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL4379880 0.84 EGFR (0.42) CA9NPC1RAB9AGAAKDM4E
SCHEMBL4381992 0.82 PTPN1 (0.41) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL4379307 0.77 TSHR (0.38) RAB9AGAAKDM4EALDH1A1HPGD
SCHEMBL4379731 0.77 ESR1 (0.38) LMNAKDREGFR
SCHEMBL4389156 0.76 EGFR (0.46) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL4385025 0.76 TSHR (0.44) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL4386776 0.76 EGFR (0.43) GAAKDM4ESMN1; SMN2LMNACYP2C19
SCHEMBL4393857 0.74 EGFR (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4384148 0.74 EGFR (0.40) CA9KDM4EALDH1A1TP53KMT2A
SCHEMBL4392458 0.73 KDM4E (0.35) NPC1RAB9AGAAKDM4EALDH1A1

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 CA9 1812/4885NPC1 1090/4885RAB9A 585/4885

“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.