SCHEMBL738767

SCHEMBL738767

COc1ccc(-c2coc3cc(OCCCCCCN4CCCCC4)ccc3c2=O)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.81
NPC1 O15118 2/20 0.62
MAPT P10636 2/20 0.62
RAB9A P51151 2/20 0.62
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAOB P27338 3/20 0.53

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
SCHEMBL761573 0.91 HRH3 (0.68) HRH3NPC1MAPTRAB9APDK1
SCHEMBL738943 0.84 ALDH2 (0.71) HRH3NPC1MAPTRAB9AKDM4E
SCHEMBL28897121 0.83 HRH3 (0.64) HRH3NPC1MAPTRAB9ABCHE
SCHEMBL737431 0.82 HRH3 (0.81) HRH3PDK1PDK2
SCHEMBL11560028 0.82 MAPT (0.77) HRH3NPC1MAPTRAB9AKDM4E
SCHEMBL8983963 0.81 HRH3 (0.80) HRH3NPC1MAPTRAB9ABCHE
SCHEMBL4744489 0.80 HRH3 (0.53) HRH3NPC1MAPTRAB9APDK1
SCHEMBL16147916 0.78 HRH3 (0.88) HRH3PDK1PDK2MAOB
SCHEMBL29482681 0.78 RAB9A (1.00) NPC1MAPTRAB9AKDM4ETP53
SCHEMBL571161 0.78 RAB9A (1.00) NPC1MAPTRAB9AKDM4ETP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138184-B2 Isoxazole derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-03-20 US disclosed
US-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-08-27 US 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-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME TBXA2R, F12, PTH1R HRH3 4/4885NPC1 3390/4885MAPT 4242/4885

“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.