SCHEMBL13816587

SCHEMBL13816587

O=[N+]([O-])c1ccc(N2CCC(O)CC2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.68
▸ SIRT6 Q8N6T7 2/20 0.68
▸ THRB P10828 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ ALDH1A1 P00352 6/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ GPR35 Q9HC97 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL19899574 0.84 MAPT (0.75) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL2557640 0.84 LMNA (0.71) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL4254979 0.83 SIRT6 (0.65) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL21066338 0.83 MAPT (0.73) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL12478410 0.83 MAPT (0.73) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL8804807 0.82 MAPT (0.47) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL31333962 0.81 MAPT (0.59) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL311272 0.81 ALDH1A1 (0.73) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL13981668 0.81 MAPT (0.69) MAPTSIRT6THRBPKMALDH1A1
SCHEMBL14852502 0.81 SIRT6 (1.00) MAPTSIRT6THRBPKMALDH1A1

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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 MAPT 4564/4885SIRT6 4417/4885THRB 1406/4885

“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.

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