SCHEMBL6414804

SCHEMBL6414804

COC(OC)c1cc(C(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
GAA P10253 1/20 0.73
GRN P28799 1/20 0.55
SORT1 Q99523 1/20 0.55
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RECQL P46063 3/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
POLB P06746 2/20 0.40
MCL1 Q07820 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL4498910 0.84 ALDH1A1 (1.00) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL6415839 0.84 ALDH1A1 (0.52) ALDH1A1GAAKDM4ESMN1; SMN2LMNA
SCHEMBL19994231 0.80 ALDH1A1 (0.74) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL1259093 0.74 ALDH1A1 (0.66) ALDH1A1GAAGRNSORT1MAPK1
SCHEMBL6261953 0.74 KMT2A (0.48) ALDH1A1GAAMAPK1LMNAKMT2A
SCHEMBL13912473 0.73 ALDH1A1 (0.77) ALDH1A1GAAGRNSORT1SMN1; SMN2
SCHEMBL5402973 0.73 ALDH1A1 (0.63) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL68764 0.73 RPA1 (0.65) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL4422536 0.72 ALDH1A1 (0.75) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL2927650 0.71 ALDH1A1 (0.74) ALDH1A1GAAGRNSORT1KDM4E

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT ALDH1A1 360/4885GAA 1397/4885GRN 764/4885

“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.