SCHEMBL3108690

SCHEMBL3108690

C=CCCCOc1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
MAOA P21397 2/20 0.53
BCHE P06276 3/20 0.52
LCK P06239 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NR4A2 P43354 1/20 0.49
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
ALOX5 P09917 1/20 0.47

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
SCHEMBL17138189 0.87 ALDH1A1 (0.51) KDM4EALDH1A1
SCHEMBL11066415 0.86 BCHE (0.61) MAOBMAOABCHELCKKDM4E
SCHEMBL8483056 0.83 RAB9A (0.58) MAOBMAOABCHEKDM4EALDH1A1
SCHEMBL17138168 0.81 KCNA3 (0.46) MAOBMAOAKDM4EALDH1A1
SCHEMBL7980722 0.81 ALDH1A1 (0.62) KDM4EALDH1A1PKM
SCHEMBL1268719 0.81 MAOB (0.81) MAOBMAOABCHELCKCYP4F2
SCHEMBL29565679 0.81 LTA4H (0.51) ALDH1A1
SCHEMBL17138208 0.80 PRSS1 (0.46) MAOBMAOAKDM4EALDH1A1
SCHEMBL3760044 0.79 L3MBTL1 (0.43) MAOBBCHEKDM4EALDH1A1
SCHEMBL9434797 0.79 BCHE (0.58) MAOBMAOABCHELCKKDM4E

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 MAOB 200/4885MAOA 128/4885BCHE 1349/4885

“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.