SCHEMBL5583398

SCHEMBL5583398

O=C(CCl)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TSHR P16473 1/20 0.57
MAOB P27338 1/20 0.51
HTT P42858 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APP P05067 1/20 0.42

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
SCHEMBL1556056 0.87 MAOB (0.54) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL20598466 0.87 MAOB (0.54) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL28416934 0.86 ALDH1A1 (0.57) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL6327015 0.84 MAOB (0.51) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL1057912 0.84 MAOB (0.51) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL1759352 0.84 MAOB (0.55) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL28409395 0.84 MAOB (0.51) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL8643962 0.84 MAOB (0.51) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL258506 0.84 ALDH1A1 (0.56) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL286962 0.83 MAOB (0.56) ALDH1A1TSHRMAOBHTTNPC1

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 2920/4885TSHR 1938/4885MAOB 1362/4885

“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.