SCHEMBL4386950

SCHEMBL4386950

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
HDAC1 Q13547 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 3/20 0.34
CAPN1 P07384 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ROR1 Q01973 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.31
EGFR P00533 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
SCHEMBL4387636 0.88 ALDH1A1 (0.35) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4392083 0.84 ALDH1A1 (0.33) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4392091 0.84 ALDH1A1 (0.33) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4387307 0.84 ALDH1A1 (0.36) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4384286 0.84 KDM4E (0.33) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4384283 0.84 KDM4E (0.33) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4379079 0.83 ALDH1A1 (0.36) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4379012 0.83 HDAC3 (0.34) ALDH1A1MAPTHDAC1KDM4EHDAC8
SCHEMBL5491747 0.82 HDAC3 (0.32) ALDH1A1MAPTPKMHDAC1KDM4E
SCHEMBL4381676 0.81 MAPT (0.45) ALDH1A1MAPTPKMHDAC1KDM4E

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 ALDH1A1 3520/4885MAPT 2443/4885PKM 4822/4885

“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.