SCHEMBL4379879

SCHEMBL4379879

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2cccc(C(=O)NC)c2)c1CC1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BRD4 O60885 1/20 0.41
SCN9A Q15858 2/20 0.39
MET P08581 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PTGER1 P34995 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMPD1 P17405 3/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4381083 1.00 MEN1 (0.46) MEN1KMT2ABRD4SCN9AMET
SCHEMBL4380949 0.91 PTGER1 (0.46) MEN1KMT2AMRGPRX4SMN1; SMN2PTGER1
SCHEMBL4379396 0.91 PTGER1 (0.46) MEN1KMT2AMRGPRX4SMN1; SMN2PTGER1
SCHEMBL4379485 0.91 NPC1 (0.47) MEN1KMT2ABRD4MRGPRX4SMN1; SMN2
SCHEMBL4379380 0.90 BRD4 (0.45) MEN1KMT2ABRD4MRGPRX4SMN1; SMN2
SCHEMBL4382301 0.90 KDM4E (0.39) METMRGPRX4PTGER1
SCHEMBL4378114 0.90 KDM4E (0.39) METMRGPRX4PTGER1
SCHEMBL4384609 0.90 MRGPRX4 (0.42) MEN1KMT2ABRD4MRGPRX4SMN1; SMN2
SCHEMBL4379576 0.88 BRD4 (0.41) KMT2ABRD4MRGPRX4SMN1; SMN2PTGER1
SCHEMBL4378910 0.88 BRD4 (0.41) KMT2ABRD4MRGPRX4SMN1; SMN2PTGER1

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 MEN1 4784/4885KMT2A 3994/4885BRD4 239/4885

“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.