SCHEMBL4382075

SCHEMBL4382075

COCOc1cc(OCOC)cc(C(C(=O)OC)c2ccco2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C19 P33261 2/20 0.33
TACR3 P29371 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
SCHEMBL4384861 0.78 ALDH1A1 (0.38) GAAHTTMEN1KMT2AALDH1A1
SCHEMBL4379090 0.78 KDM4E (0.32) GAAALDH1A1L3MBTL1MAPTGRM5
SCHEMBL4751567 0.77 KMT2A (0.47) GAAHTTMEN1KMT2AALDH1A1
SCHEMBL4379025 0.77 TDP1 (0.32) L3MBTL1GRM5
SCHEMBL4383946 0.77 ALDH1A1 (0.33) KMT2AALDH1A1POLBMAPTGRM5
SCHEMBL4394450 0.76 GRM5 (0.38) KMT2AALDH1A1GRM5CYP2C19
SCHEMBL4378281 0.75 MAPT (0.39) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4390347 0.75 KMT2A (0.43) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4389620 0.75 FYN (0.40) MEN1KMT2AGRM5
Diethylamine SCHEMBL4386992 0.75 GRM5 (0.32) KMT2AGRM5KDM4E

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 GAA 3950/4885HTT 538/4885MEN1 4784/4885

“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.