SCHEMBL4387688

SCHEMBL4387688

COCOc1cc(OCOC)c(-c2ccccc2)c(CCCO)c1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
HK2 P52789 1/20 0.40
DHODH Q02127 1/20 0.35
TSHR P16473 1/20 0.34
PTPN1 P18031 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 4/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 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 0.88 EGFR (0.42) EGFRHK2DHODHTSHRPTPN1
SCHEMBL4386937 0.85 EGFR (0.40) EGFRHK2TSHRALDH1A1KDM4E
SCHEMBL4388439 0.82 EGFR (0.41) EGFRHK2ALDH1A1KDM4ELMNA
SCHEMBL4386982 0.82 EGFR (0.40) EGFRDHODHTSHRPTGDR2KDM4E
SCHEMBL4379817 0.82 EGFR (0.40) EGFRDHODHTSHRPTGDR2KDM4E
SCHEMBL4381699 0.82 EGFR (0.44) EGFRHK2PTPN1ALDH1A1KDM4E
SCHEMBL4381558 0.80 EGFR (0.45) EGFRDHODHKDM4ETP53L3MBTL1
SCHEMBL4381785 0.80 ALDH1A1 (0.37) EGFRPTPN1ALDH1A1HPGD
SCHEMBL4382249 0.79 EGFR (0.38) EGFRDHODHMEN1KMT2A
SCHEMBL2867378 0.78 EGFR (0.44) EGFRKDM4ETP53L3MBTL1LMNA

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 624/4885HK2 4850/4885DHODH 3584/4885

“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.