SCHEMBL4386937

SCHEMBL4386937

COCCOCCc1c(C(C)=O)c(OCOC)cc(OCOC)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
TP53 P04637 1/20 0.39
HK2 P52789 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PADI4 Q9UM07 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
KCNA3 P22001 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTK2B Q14289 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL4384151 0.94 EGFR (0.42) EGFRTP53HK2KDM4EALDH1A1
SCHEMBL4379882 0.89 ALDH1A1 (0.36) EGFRKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4386518 0.89 KDR (0.35) EGFRKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4381699 0.88 EGFR (0.44) EGFRTP53HK2KDM4EALDH1A1
SCHEMBL4381558 0.86 EGFR (0.45) EGFRTP53KDM4ESMN1; SMN2KMT2A
SCHEMBL4387688 0.85 EGFR (0.43) EGFRTP53HK2KDM4EALDH1A1
SCHEMBL4386770 0.84 LMNA (0.41) EGFRTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL2867378 0.84 EGFR (0.44) EGFRTP53KDM4ELMNAMAPT
SCHEMBL4379802 0.83 KDR (0.36) EGFRHK2
SCHEMBL4381785 0.83 ALDH1A1 (0.37) EGFRALDH1A1

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 918/4885HK2 4850/4885

“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.