SCHEMBL5583291

SCHEMBL5583291

COc1cccc(C(O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 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
SCHEMBL2188552 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ASMN1; SMN2L3MBTL1
SCHEMBL5583391 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2187742 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ECYP2C19CYP2D6NPC1
SCHEMBL30888845 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2187830 0.80 PTGS2 (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL5583404 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ECYP2C19CYP1A2CYP2D6
SCHEMBL210215 0.79 HTT (0.47) ALDH1A1KDM4ENPC1L3MBTL1MAPT
SCHEMBL1897076 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1TDP1MAPT
SCHEMBL12451651 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1TDP1MAPT
SCHEMBL8756705 0.76 AOC3 (0.49) CYP2C19CYP1A2CYP2D6L3MBTL1CHRM2

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 2920/4885KDM4E 853/4885CYP2C19 4225/4885

“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.