SCHEMBL6003012

SCHEMBL6003012

CC(C)(C)C(C(=O)O)=C(Oc1cccc(C(C)(C)C)c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
NR1H4 Q96RI1 3/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CDK2 P24941 1/20 0.32
MDM2 Q00987 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL6002139 0.80 ALDH1A1 (0.44) TDP1ALDH1A1HTTKDM4EGAA
SCHEMBL6002066 0.78 NR1H4 (0.42) TDP1ALDH1A1HTTGAANPSR1
SCHEMBL22108 0.71 TDP1 (0.39) TDP1ATMALDH1A1HTTKDM4E
SCHEMBL6003006 0.70 ALDH1A1 (0.50) TDP1ALDH1A1HTTKDM4ENPSR1
SCHEMBL31189367 0.68 ALDH1A1 (0.36) TDP1ATMALDH1A1HTTGAA
SCHEMBL5631653 0.68 HSP90AA1 (0.40) TDP1ALDH1A1HTTKDM4ENPSR1
SCHEMBL25272177 0.67 EPAS1 (0.41) TDP1ALDH1A1NPSR1MAPTNCEH1
SCHEMBL14200086 0.67 ALDH1A1 (0.44) TDP1ALDH1A1HTTNR1H4TSHR
SCHEMBL2080615 0.66 RAB9A (0.40) ALDH1A1HTTGAANPSR1MAPT
SCHEMBL7857028 0.65 TDP1 (0.41) TDP1ALDH1A1HTTKDM4ENPSR1

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 TDP1 3643/4885ATM 1987/4885ALDH1A1 3157/4885

“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.