SCHEMBL15467799

SCHEMBL15467799

O=[N+]([O-])c1ccc(Oc2ccc([C@]34C[N@@]5C[N@](C[C@@](c6ccc(Oc7ccc([N+](=O)[O-])c(O)c7)cc6)(C5)C3)C4)cc2)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.38
MAPT P10636 4/20 0.36
SIRT6 Q8N6T7 2/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL15471097 1.00 GPR35 (0.38) GPR35MAPTSIRT6THRBPKM
SCHEMBL15466378 0.91 MAPT (0.34) GPR35MAPTSIRT6THRBPKM
SCHEMBL15466380 0.91 MAPT (0.34) GPR35MAPTSIRT6THRBPKM
SCHEMBL15466208 0.85 NPC1 (0.35) GPR35MAPTSIRT6THRBPKM
SCHEMBL15467843 0.85 GPR35 (0.38) GPR35MAPTSIRT6THRBPKM
SCHEMBL15467837 0.85 GPR35 (0.38) GPR35MAPTSIRT6THRBPKM
SCHEMBL15467838 0.85 GPR35 (0.38) GPR35MAPTSIRT6THRBPKM
SCHEMBL4843324 0.81 RAB9A (0.49) GPR35MEN1KMT2ARAB9AALDH1A1
SCHEMBL15466178 0.80 GPR35 (0.38) GPR35MAPTSIRT6THRBPKM
SCHEMBL15471105 0.80 GPR35 (0.38) GPR35MAPTSIRT6THRBPKM

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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US claimed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 GPR35 2567/4885MAPT 1087/4885SIRT6 2712/4885

“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.