SCHEMBL4379380

SCHEMBL4379380

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.45
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE5A O76074 2/20 0.37
FYN P06241 2/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4379485 0.94 NPC1 (0.47) BRD4NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL4384609 0.93 MRGPRX4 (0.42) BRD4NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL4381083 0.90 MEN1 (0.46) BRD4NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL4379879 0.90 MEN1 (0.46) BRD4NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL4379396 0.88 PTGER1 (0.46) NPC1RAB9ASMN1; SMN2MRGPRX4MEN1
SCHEMBL4380949 0.88 PTGER1 (0.46) NPC1RAB9ASMN1; SMN2MRGPRX4MEN1
SCHEMBL4378114 0.87 KDM4E (0.39) MRGPRX4
SCHEMBL4382301 0.87 KDM4E (0.39) MRGPRX4
SCHEMBL4379576 0.85 BRD4 (0.41) BRD4NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL4378910 0.85 BRD4 (0.41) BRD4NPC1RAB9ASMN1; SMN2MRGPRX4

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 BRD4 239/4885SPHK2 4845/4885SPHK1 4843/4885

“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.