SCHEMBL4385092

SCHEMBL4385092

CCC(C(=O)OC)c1cc(OCOC)cc(OCOC)c1I

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.31
BACE1 P56817 1/20 0.31
GRM5 P41594 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 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
SCHEMBL4390433 0.85 CAPN1 (0.33) CAPN1BACE1GRM5TDP1L3MBTL1
SCHEMBL4383645 0.83 CAPN1 (0.32) CAPN1BACE1GRM5
SCHEMBL4379885 0.80 EGFR (0.40) CAPN1GRM5TDP1L3MBTL1LMNA
SCHEMBL4380219 0.80 LTA4H (0.43) L3MBTL1LMNA
SCHEMBL4379314 0.78 RXRA (0.37) CAPN1
SCHEMBL4382894 0.76 KDM4E (0.36) GRM5TDP1L3MBTL1
SCHEMBL4385029 0.76 AKR1C3 (0.41) CAPN1TDP1L3MBTL1LMNA
SCHEMBL4379734 0.76 KDR (0.35) CAPN1BACE1
SCHEMBL4392458 0.71 KDM4E (0.35) CAPN1LMNA
SCHEMBL4381377 0.71 HDAC8 (0.33) CAPN1BACE1GRM5LMNA

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 CAPN1 1225/4885BACE1 3031/4885GRM5 3023/4885

“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.