SCHEMBL4385950

SCHEMBL4385950

COCOc1cc(OCOC)c(-c2ccccc2)c(CC(=O)O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIM1 P11309 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
NR1H4 Q96RI1 1/20 0.35
HTT P42858 2/20 0.33
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
POLB P06746 1/20 0.33
CLCN2 P51788 1/20 0.33
CYP2C19 P33261 1/20 0.33
CAPN1 P07384 1/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4387376 0.91 EGFR (0.43) EGFRMEN1KMT2APIM1KDM4E
SCHEMBL4389125 0.90 EGFR (0.42) EGFRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4381129 0.90 EGFR (0.42) EGFRMEN1KMT2ACAPN1
SCHEMBL4379975 0.89 EGFR (0.41) EGFRMEN1KMT2APIM1SMN1; SMN2
SCHEMBL4386978 0.88 EGFR (0.40) EGFRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4380690 0.87 EGFR (0.40) EGFRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4387418 0.87 EGFR (0.44) EGFRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4377954 0.85 SMN1; SMN2 (0.44) EGFRKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4385121 0.85 EGFR (0.49) EGFRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4396326 0.85 KDM4E (0.48) EGFRKMT2AGAAKDM4ETSHR

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.