SCHEMBL4380158

SCHEMBL4380158

COCOc1cc(OCOC)c(Br)c(C(C(=O)OC)c2cccc(CCC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.32
KLK5 Q9Y337 1/20 0.32
FFAR1 O14842 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4382164 0.85 MEN1 (0.34) KLK5FFAR1MEN1KMT2A
SCHEMBL4386274 0.72 RAB9A (0.39) FFAR1MEN1KMT2A
SCHEMBL4382160 0.71 MTNR1A (0.36) CAPN1FFAR1
SCHEMBL4380155 0.71 MTNR1A (0.34) FFAR1
SCHEMBL4381377 0.69 HDAC8 (0.33) CAPN1
SCHEMBL4389620 0.68 FYN (0.40) FFAR1MEN1KMT2A
SCHEMBL5262346 0.67 SIRT2 (0.49)
SCHEMBL4381644 0.67 HDAC8 (0.32) CAPN1
SCHEMBL4390433 0.67 CAPN1 (0.33) CAPN1
SCHEMBL5914135 0.66 SIRT2 (0.42) MEN1KMT2A

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 1225/4885KLK5 4778/4885FFAR1 1445/4885

“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.