SCHEMBL13097248

SCHEMBL13097248

OC1(CCOc2cccc(OCc3ccccc3)c2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
NR4A2 P43354 1/20 0.48
BCHE P06276 1/20 0.46
HPD P32754 1/20 0.45
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 2/20 0.44
MAOA P21397 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13097204 0.88 ALDH1A1 (0.49) MAOBCYP4F2CYP4A11NR4A2MAOA
SCHEMBL13097250 0.82 CHRNB2 (0.50)
SCHEMBL13097251 0.82 MAOB (0.38) MAOBKMT2ASMN1; SMN2
SCHEMBL13107120 0.80 GRIN1 (0.49) KMT2A
SCHEMBL6584414 0.77 CYP4F2 (0.51) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL3096144 0.77 LTA4H (0.55) MAOBBCHE
SCHEMBL25517325 0.77 CYP4F2 (0.58) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL1268719 0.76 MAOB (0.81) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL4763643 0.76 CYP4F2 (0.70) MAOBCYP4F2CYP4A11NR4A2BCHE
SCHEMBL3106679 0.74 LTA4H (0.55) MAOBBCHE

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 200/4885CYP4F2 333/4885CYP4A11 91/4885

“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.