SCHEMBL5583391

SCHEMBL5583391

COc1cccc(C(O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.42
AOC3 Q16853 1/20 0.42
MAPK1 P28482 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
SCHEMBL5583370 0.85 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL5583291 0.84 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL4622229 0.80 ALDH1A1 (0.45) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL17064547 0.80 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL31067424 0.80 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5583438 0.79 CYP1A2 (0.56) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL31633570 0.79 CYP1A2 (0.56) ALDH1A1MAPTMEN1KMT2AL3MBTL1
Potassium Ion SCHEMBL8055305 0.79 ALDH1A1 (0.44) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL8756705 0.78 AOC3 (0.49) MEN1KMT2AL3MBTL1CHRM2CHRM1
SCHEMBL31633587 0.78 KMT2A (0.48) ALDH1A1MAPTNPC1RAB9AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 US disclosed
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO 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-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK ALDH1A1 2920/4885MAPT 949/4885NPC1 4125/4885

“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.