SCHEMBL12435690

SCHEMBL12435690

CC1(C)OB(c2ccc(OCCN3CCCOC3)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PSMB1 P20618 7/20 0.40
PSMB5 P28074 7/20 0.40
PSMB2 P49721 4/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL871366 0.87 LTA4H (0.54) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL585479 0.86 PSMB1 (0.55) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL171775 0.85 ALDH1A1 (0.55) LTA4HKDM4EPSMB1PSMB5HRH3
SCHEMBL12512950 0.85 LTA4H (0.37) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL18844624 0.81 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL18824777 0.81 HRH3 (0.56) HRH3
SCHEMBL1367081 0.81 LTA4H (0.52) LTA4HKDM4EHRH3NPC1RAB9A
SCHEMBL237631 0.80 HRH3 (0.58) HRH3
SCHEMBL29602879 0.80 PSMB1 (0.43) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL25301027 0.79 LTA4H (0.41) LTA4HKDM4EPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B LTA4H 2560/4885KDM4E 1645/4885PSMB1 3147/4885

“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.