SCHEMBL4383090

SCHEMBL4383090

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CCN1CCC(O)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SPHK1 Q9NYA1 2/20 0.40
SPHK2 Q9NRA0 1/20 0.40
MCHR1 Q99705 3/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
KDM4E B2RXH2 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
ACHE P22303 1/20 0.37
SSTR5 P35346 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4388109 0.79 SPHK1 (0.48) SPHK1SPHK2CD274
SCHEMBL4394285 0.78 KCNA3 (0.40) LTA4HSPHK1ALDH1A1CYP3A4KDM4E
SCHEMBL4382835 0.77 CYP4F2 (0.43) LTA4HNPC1RAB9A
SCHEMBL4384766 0.75 HMGCR (0.41) NPC1RAB9A
SCHEMBL5493555 0.72 MEN1 (0.38) ALDH1A1
SCHEMBL4383171 0.72 PTGER1 (0.48) NPC1RAB9A
SCHEMBL4386171 0.72 PDE4B (0.38) NPC1RAB9AALDH1A1LMNA
SCHEMBL4384147 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6423692 0.70 ACHE (0.60) LTA4HALDH1A1CYP3A4KDM4EACHE
SCHEMBL5537485 0.70 ACHE (0.60) LTA4HALDH1A1CYP3A4KDM4EACHE

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 LTA4H 4672/4885NPC1 1090/4885RAB9A 585/4885

“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.