SCHEMBL5583370

SCHEMBL5583370

COc1ccc(C(O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTPN1 P18031 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACP3 P15309 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL4266745 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5583391 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL28555839 0.84 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31633570 0.82 CYP1A2 (0.56) ALDH1A1KMT2ATDP1MAPTCYP1A2
SCHEMBL5583438 0.82 CYP1A2 (0.56) ALDH1A1KMT2ATDP1MAPTCYP1A2
SCHEMBL7802203 0.82 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9489211 0.81 GAA (0.47) ALDH1A1KMT2ATDP1HPGDMAPT
SCHEMBL3689755 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL28569559 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL26670137 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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 2920/4885SMN1; SMN2 1085/4885NPC1 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.