SCHEMBL10079669

SCHEMBL10079669

CC(=O)OC(OC(C)=O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GPR35 Q9HC97 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 1/20 0.46
ERN1 O75460 1/20 0.44
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10061896 0.87 MAPT (0.47) GAAMAPTKDM4EGLAGPR35
SCHEMBL7273398 0.84 ALDH1A1 (0.46) GAAMAPTGPR35SMN1; SMN2MAPK1
SCHEMBL10079209 0.84 RECQL (0.51) GAAMAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8416497 0.83 GPR35 (0.51) GAAMAPTKDM4EGLAGPR35
SCHEMBL14267713 0.81 HSD17B10 (0.49) GAAMAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL12703668 0.81 ALDH1A1 (0.45) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL4705081 0.79 HTT (0.53) GAAMAPTGLASMN1; SMN2MAPK1
SCHEMBL24192394 0.78 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL14267715 0.77 ALDH1A1 (0.46) GAAMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1647499 0.77 ALDH1A1 (0.56) GAAMAPTKDM4EGLAGPR35

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-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 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-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 GAA 65/4885MAPT 55/4885KDM4E 2197/4885

“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.