SCHEMBL4381673

SCHEMBL4381673

COCOc1cc(CC(=O)OC)c(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c(OCOC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 6/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
PRMT5 O14744 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4381676 1.00 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL4392360 0.88 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4384014 0.88 ALDH1A1 (0.34) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4392354 0.88 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4384018 0.88 ALDH1A1 (0.34) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4378177 0.84 ALDH1A1 (0.37) MAPTALDH1A1NPC1HPGDRAB9A
SCHEMBL4386255 0.81 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4386247 0.81 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4386950 0.81 ALDH1A1 (0.37) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL4396515 0.81 MAPT (0.34) MAPTKMT2AMEN1ALDH1A1HPGD

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 MAPT 2443/4885KMT2A 3994/4885MEN1 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.