SCHEMBL4386955

SCHEMBL4386955

COCOc1cc(OCOC)cc(C(C(=O)OC)c2ccc(CCC(=O)c3ccccc3)o2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CAPN1 P07384 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL4394954 0.84 HDAC1 (0.44) HDAC1HDAC8KMT2AL3MBTL1NPC1
SCHEMBL4387310 0.84 PPARG (0.35) HDAC1KMT2AKDM4EALDH1A1MEN1
SCHEMBL4392101 0.83
SCHEMBL4384296 0.82
SCHEMBL4379090 0.82 KDM4E (0.32) L3MBTL1NPC1RAB9AMAPTKDM4E
SCHEMBL5491759 0.81 ALDH1A1 (0.31) L3MBTL1NPC1RAB9AMAPTALDH1A1
SCHEMBL4379025 0.81 TDP1 (0.32) L3MBTL1NPC1RAB9A
SCHEMBL4382503 0.78 MTNR1A (0.37) KMT2AALDH1A1SMN1; SMN2
SCHEMBL4383946 0.76 ALDH1A1 (0.33) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL4386272 0.74 MAPT (0.33) KMT2AL3MBTL1NPC1RAB9AMAPT

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 HDAC1 302/4885HDAC8 94/4885KMT2A 3994/4885

“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.