SCHEMBL3102916

SCHEMBL3102916

c1ccc(COc2cccc(OCC3CCC4(CC3)OCCO4)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
MAOB P27338 6/20 0.47
MAOA P21397 2/20 0.43
ACACA Q13085 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
BCHE P06276 1/20 0.42
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
KDM1A O60341 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL5348078 0.84 MAOB (0.60) MAOBMAOAACACACYP4F2CYP4A11
SCHEMBL3098645 0.83 CHRNB4 (0.51) GRIN1GRIN2BKDM1A
SCHEMBL24460873 0.82 GRIN1 (0.53) GRIN1GRIN2BMAOBMAOACYP4F2
SCHEMBL13106490 0.80 GPR119 (0.46) GRIN1GRIN2BACACA
SCHEMBL1809933 0.80 CTSL (0.45) GRIN1GRIN2B
SCHEMBL13096959 0.78 SLC6A2 (0.61) MAOBSPHK2SPHK1KDM1A
Hydrochloric Acid SCHEMBL3096005 0.76 SLC6A2 (0.59) MAOBSPHK2SPHK1KDM1A
SCHEMBL11047683 0.75 GRIN1 (0.50) GRIN1GRIN2BMAOBMAOAKDM1A
SCHEMBL13096984 0.75 MAOB (0.50) MAOBMAOAACACACYP4F2CYP4A11
SCHEMBL13096963 0.73 ALDH1A1 (0.53) MAOBACACASPHK2SPHK1

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
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
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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 GRIN1 3120/4885GRIN2B 3501/4885MAOB 200/4885

“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.