SCHEMBL4387419

SCHEMBL4387419

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCOCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
CD274 Q9NZQ7 2/20 0.35
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.32
USP7 Q93009 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
GCGR P47871 1/20 0.32
DHODH Q02127 1/20 0.32
AURKA O14965 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4378977 0.93 EGFR (0.37) EGFRCD274ALDH1A1MEN1KMT2A
SCHEMBL4386514 0.93 EGFR (0.37) EGFRCD274PTGS2ALDH1A1MEN1
SCHEMBL4382068 0.92 EGFR (0.35) EGFRMEN1KMT2ASMN1; SMN2ADRB2
SCHEMBL4381984 0.89 EGFR (0.41) EGFRALDH1A1USP7GCGRDHODH
SCHEMBL4379005 0.88 MEN1 (0.34) EGFRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4379642 0.88 EGFR (0.37) EGFRKDM4EUSP7ADRB2GCGR
SCHEMBL4386982 0.87 EGFR (0.40) EGFRCD274MEN1KMT2AKDM4E
SCHEMBL4380935 0.86 EGFR (0.39) EGFRSMN1; SMN2DHODH
SCHEMBL4394187 0.86 CYP1A2 (0.39) EGFRCD274ALDH1A1MEN1KMT2A
SCHEMBL4388969 0.85 EGFR (0.34) EGFRMEN1KMT2ASMN1; SMN2KDM4E

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 624/4885CD274 2969/4885PTGS2 3878/4885

“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.