SCHEMBL4382164

SCHEMBL4382164

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FFAR1 O14842 1/20 0.33
KLK5 Q9Y337 1/20 0.33
GAA P10253 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
CACNA1B Q00975 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL4386274 0.86 RAB9A (0.39) MEN1KMT2AFFAR1GAAALDH1A1
SCHEMBL4380158 0.85 CAPN1 (0.32) MEN1KMT2AFFAR1KLK5
SCHEMBL4389620 0.82 FYN (0.40) MEN1KMT2AFFAR1
SCHEMBL4389678 0.77 NR1H4 (0.42) MEN1KMT2AALDH1A1
SCHEMBL4390347 0.75 KMT2A (0.43) MEN1KMT2AALDH1A1LMNA
SCHEMBL4384811 0.74 NPC1 (0.36) MEN1KMT2AFFAR1ALDH1A1
SCHEMBL4386768 0.73 FFAR1 (0.41) FFAR1
SCHEMBL5262346 0.72 SIRT2 (0.49) SIRT2ALDH1A1LMNA
SCHEMBL4378824 0.72 NPC1 (0.35) MEN1KMT2AFFAR1ALDH1A1
SCHEMBL5914135 0.72 SIRT2 (0.42) MEN1KMT2ASIRT2F2F10

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 MEN1 4784/4885KMT2A 3994/4885FFAR1 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.