SCHEMBL10132987

SCHEMBL10132987

CN1CCN(CCOc2ccc(-c3ccc(CC(=O)C(O)Cc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.60
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
HTT P42858 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL10132856 0.88 NPC1 (0.62) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL10133016 0.88 TUBB4A (0.57) LTA4HNPC1RAB9AITGB3ITGA2B
SCHEMBL10132931 0.83 EPHX2 (0.62) LTA4HNPC1RAB9AALDH1A1
SCHEMBL10132993 0.82 LTA4H (0.61) LTA4HNPC1RAB9AHTTKDM4E
SCHEMBL10132964 0.81 TUBB4A (0.63) LTA4HNPC1RAB9AALDH1A1
SCHEMBL25379040 0.79 LTA4H (0.66) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL10132882 0.79 ESR1 (0.53) LTA4HNPC1RAB9AALDH1A1
SCHEMBL10132860 0.77 TUBB4A (0.71) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL10132859 0.77 SRC (0.61) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL10133002 0.77 LTA4H (0.60) LTA4HNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 WO 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 LTA4H 3326/4885NPC1 3447/4885RAB9A 2804/4885

“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.