SCHEMBL6002139

SCHEMBL6002139

CC(C)(C)C(C(=O)O)=C(Oc1cccc([N+](=O)[O-])c1C(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GPR35 Q9HC97 1/20 0.34
HPGD P15428 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL6003012 0.80 TDP1 (0.36) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL6003006 0.78 ALDH1A1 (0.50) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL28461286 0.74 BCL9 (0.48) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL28313485 0.73 ALDH1A1 (0.62) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL6002066 0.72 NR1H4 (0.42) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL22107 0.71 ALDH1A1 (0.45) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL18286925 0.71 TDP1 (0.58) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL6886786 0.67 TDP1 (0.48) ALDH1A1KMT2ATDP1L3MBTL1TSHR
SCHEMBL28008005 0.66 ALDH1A1 (0.63) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL9419122 0.66 GPR35 (0.53) ALDH1A1HTTKMT2ATDP1L3MBTL1

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-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 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-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL ALDH1A1 3157/4885HTT 4021/4885KMT2A 1072/4885

“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.