SCHEMBL4381699

SCHEMBL4381699

COCCc1c(C(C)=O)c(OCOC)cc(OCOC)c1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
HK2 P52789 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
TP53 P04637 1/20 0.34
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CNR1 P21554 1/20 0.33
PTPN1 P18031 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 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 0.93 EGFR (0.42) EGFRHK2TP53KDM4EPTPN1
SCHEMBL4379802 0.89 KDR (0.36) EGFRHK2PTPN1
SCHEMBL4381785 0.89 ALDH1A1 (0.37) EGFRCNR1PTPN1ALDH1A1
SCHEMBL4383654 0.88 NPC1 (0.38) TP53ALDH1A1MAPTCYP2C19
SCHEMBL4386937 0.88 EGFR (0.40) EGFRHK2TP53KDM4EMEN1
SCHEMBL4382568 0.87 MAOB (0.46) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4392560 0.86 CREBBP (0.39) EGFR
SCHEMBL4386988 0.86 MAPT (0.41) KDM4EALDH1A1MAPTKMT2ACYP2C19
SCHEMBL4381558 0.85 EGFR (0.45) EGFRPTGER4TP53KDM4EMEN1
SCHEMBL4386518 0.84 KDR (0.35) EGFRKDM4EALDH1A1

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 2 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

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 624/4885HK2 4850/4885PTGER1 3751/4885

“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.