SCHEMBL13097027

SCHEMBL13097027

c1ccc(COc2cccc(OCCCC3CCOCC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
ALDH1A1 P00352 1/20 0.47
MAOA P21397 3/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BCHE P06276 1/20 0.43
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
NR4A2 P43354 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
PRKDC P78527 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL13096993 0.93 MAOB (0.50) MAOBALDH1A1MAOACYP4F2CYP4A11
SCHEMBL13097002 0.85 MAOB (0.47) MAOBALDH1A1MAOACYP4F2CYP4A11
SCHEMBL13097031 0.82 CYP2D6 (0.41) MAOBALDH1A1MAOACNR1CNR2
SCHEMBL13097028 0.82 CNR2 (0.48) CNR1CNR2
SCHEMBL13106486 0.82 ALDH1A1 (0.48) ALDH1A1MAOA
SCHEMBL11247175 0.80 LMNA (0.53) MAOBALDH1A1MAOABCHE
SCHEMBL19043398 0.80 HDAC3 (0.53) ALDH1A1SPHK2SPHK1NR4A2CNR1
SCHEMBL21617213 0.77 CTSV (0.42) MAOACNR1CNR2
SCHEMBL13107095 0.77 ALDH1A1 (0.48) ALDH1A1
SCHEMBL13096994 0.75 CHRNB4 (0.48) CNR1CNR2

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK MAOB 200/4885ALDH1A1 524/4885MAOA 128/4885

“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.