SCHEMBL4378977

SCHEMBL4378977

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCOCCCO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
GCGR P47871 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
DHODH Q02127 1/20 0.31
USP7 Q93009 2/20 0.31
POLB P06746 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL4387419 0.93 EGFR (0.38) EGFRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4386514 0.91 EGFR (0.37) EGFRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4379005 0.91 MEN1 (0.34) EGFRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4386982 0.90 EGFR (0.40) EGFRMEN1KMT2AKDM4ELMNA
SCHEMBL4382068 0.90 EGFR (0.35) EGFRMEN1KMT2ASMN1; SMN2ADRB2
SCHEMBL4388969 0.87 EGFR (0.34) EGFRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4381984 0.87 EGFR (0.41) EGFRALDH1A1GCGRDHODHUSP7
SCHEMBL4379642 0.86 EGFR (0.37) EGFRKDM4EGCGRUSP7ADRB2
SCHEMBL4380935 0.84 EGFR (0.39) EGFRSMN1; SMN2DHODHPOLB
SCHEMBL4394187 0.84 CYP1A2 (0.39) EGFRMEN1KMT2AKDM4EALDH1A1

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 624/4885MEN1 4784/4885KMT2A 3994/4885

“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.