SCHEMBL4381967

SCHEMBL4381967

COCOc1cc(OCOC)c(-c2ccccc2)c(C(=O)OC)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
EGFR P00533 3/20 0.43
TP53 P04637 1/20 0.41
AR P10275 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
MAPK8 P45983 2/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL4385854 0.90 EGFR (0.48) LMNAEGFRTP53ALDH1A1HPGD
SCHEMBL4396512 0.88 EGFR (0.42) LMNAEGFRTP53SMN1; SMN2CHEK1
SCHEMBL4380006 0.87 EGFR (0.46) LMNAEGFRALDH1A1HTTHPGD
SCHEMBL4383916 0.87 EGFR (0.43) LMNAEGFRALDH1A1SMN1; SMN2FYN
SCHEMBL4388687 0.86 EGFR (0.43) LMNAEGFRTP53ALDH1A1SMN1; SMN2
SCHEMBL4380965 0.85 EGFR (0.42) LMNAEGFRALDH1A1SMN1; SMN2RAB9A
SCHEMBL4392011 0.83 EGFR (0.55) LMNAEGFRTP53ALDH1A1SMN1; SMN2
SCHEMBL4386648 0.81 EGFR (0.45) EGFRALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL4389125 0.80 EGFR (0.42) EGFRALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL4382088 0.80 EGFR (0.42) EGFRTP53MEN1KMT2AMAPT

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 LMNA 4706/4885EGFR 624/4885TP53 918/4885

“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.