SCHEMBL5583389

SCHEMBL5583389

O=[N+]([O-])c1ccc(Cl)cc1C(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
TSHR P16473 1/20 0.49
PDE7A Q13946 5/20 0.46
PDE7B Q9NP56 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIF18A Q8NI77 1/20 0.44
APP P05067 1/20 0.44
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL5583406 0.82 VCAM1 (0.46) MAPK1TSHRLMNAMAPTALDH1A1
SCHEMBL3253882 0.81 TSHR (0.51) MAPK1TSHRPDE7APDE7BL3MBTL1
SCHEMBL31633570 0.80 CYP1A2 (0.56) MAPK1TSHRL3MBTL1MAPTALDH1A1
SCHEMBL5583438 0.80 CYP1A2 (0.56) MAPK1TSHRL3MBTL1MAPTALDH1A1
SCHEMBL343287 0.79 TSHR (0.43) MAPK1TSHRPDE7ALMNAMAPT
SCHEMBL12165493 0.79 TDP1 (0.48) MAPK1TSHRPDE7APDE7BL3MBTL1
SCHEMBL9371394 0.79 PDE7A (0.36) MAPK1TSHRPDE7APDE7BL3MBTL1
SCHEMBL9406614 0.78 VCAM1 (0.46) MAPK1TSHRPDE7APDE7BL3MBTL1
SCHEMBL5583440 0.78 MAPT (0.51) MAPK1TSHRL3MBTL1APPMAPT
SCHEMBL27382568 0.78 TSHR (0.42) MAPK1TSHRPDE7APDE7BLMNA

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 MAPK1 2819/4885TSHR 1938/4885PDE7A 493/4885

“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.