SCHEMBL4386765

SCHEMBL4386765

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(Br)c1CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.42
USP2 O75604 1/20 0.42
BRD4 O60885 2/20 0.41
MAPK14 Q16539 2/20 0.41
SGMS2 Q8NHU3 1/20 0.40
LRRK2 Q5S007 1/20 0.40
FOLH1 Q04609 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4396461 0.89 SLC26A3 (0.43) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL4379399 0.87 ALDH1A1 (0.44) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL4380214 0.85 SGMS2 (0.43) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL4380278 0.84 HPGD (0.42) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL31528182 0.82 SMPD1 (0.50) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL4390428 0.81 HSP90AB1 (0.34) SMN1; SMN2HPGDRAB9ALMNAKDM4E
SCHEMBL16346175 0.80 SMPD1 (0.46) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL4381582 0.79 LRRK2 (0.41) SMN1; SMN2HPGDNPC1RAB9ALRRK2
SCHEMBL4381103 0.78 MTNR1A (0.45) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL15610032 0.74 SMPD1 (0.51) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2

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 SMPD1 4804/4885HDAC1 302/4885HDAC8 94/4885

“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.