SCHEMBL13965739

SCHEMBL13965739

COc1cc(CNCCC(C)(C)C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ROCK1 Q13464 2/20 0.39
SLC40A1 Q9NP59 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
CHRM2 P08172 1/20 0.37
GSK3B P49841 2/20 0.36
CDK2 P24941 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GSK3A P49840 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL13975843 0.82 LOX (0.53) LOXLOXL2KDM4EALDH1A1GLA
SCHEMBL21227110 0.79 LOXL2 (0.61) LOXLOXL2GSK3BGSK3ASLC13A5
SCHEMBL178404 0.77 LOXL2 (0.62) LOXLOXL2HTR2AHTR2CGSK3B
Hydrochloric Acid SCHEMBL22164586 0.76 LOX (0.61) LOXLOXL2KDM4EHTR2AHTR2C
SCHEMBL18884427 0.76 LOXL2 (0.66) LOXLOXL2KDM4EALDH1A1GSK3B
SCHEMBL21592253 0.76 LOX (0.61) LOXLOXL2GSK3BCDK2GSK3A
SCHEMBL8179984 0.76 LOXL2 (0.61) LOXLOXL2GSK3BCDK2GSK3A
SCHEMBL21591487 0.75 LOX (0.46) LOXLOXL2KDM4EALDH1A1GLA
SCHEMBL21591525 0.75 LOX (0.46) LOXLOXL2KDM4EALDH1A1GLA
SCHEMBL4046115 0.75 CYP3A4 (0.49) KDM4EALDH1A1GLAHTR2AHTR2C

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS LOX 1898/4885LOXL2 3006/4885KDM4E 1942/4885

“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.