SCHEMBL2859896

SCHEMBL2859896

COCCc1c(I)c(OCOC)cc(OCOC)c1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 2/20 0.35
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
AKT1 P31749 1/20 0.33
TP53 P04637 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
SCHEMBL2865657 0.86 EGFR (0.40) EGFRLMNAMAPTL3MBTL1HTT
SCHEMBL2867402 0.85 EGFR (0.39) EGFRLMNAMAPTL3MBTL1HTT
SCHEMBL2857509 0.85 EGFR (0.39) EGFRLMNAMAPTL3MBTL1HTT
SCHEMBL2867378 0.84 EGFR (0.44) EGFRLMNAMAPTL3MBTL1HTT
SCHEMBL6032170 0.83 MAPT (0.43) EGFRLMNAMAPTL3MBTL1HTT
SCHEMBL2855838 0.78 MAPT (0.41) EGFRLMNAMAPTL3MBTL1HTT
SCHEMBL2855866 0.76 MAPT (0.43) MAPTHTTHSD17B10GAA
SCHEMBL15225636 0.76 ABCB1 (0.43) LMNAMAPTL3MBTL1ATMKDM4E
SCHEMBL27634737 0.76 MAPT (0.45) EGFRLMNAMAPTL3MBTL1ATM
SCHEMBL4381558 0.74 EGFR (0.45) EGFRL3MBTL1KDM4EGAATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P EGFR 832/4885LMNA 4283/4885MAPT 1791/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P EGFR 832/4885LMNA 4283/4885MAPT 1791/4885

“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.