SCHEMBL5595476

SCHEMBL5595476

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.45
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.44
MAPK1 P28482 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44

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
SCHEMBL28569559 0.87 SMN1; SMN2 (0.51) CYP1A2TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL5583414 0.86 CYP1A2 (0.68) CYP1A2TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL5583370 0.80 ALDH1A1 (0.52) CYP1A2ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL11280865 0.79 HPGD (0.45) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL28489153 0.79 FFAR1 (0.61) CYP1A2KMT2AMEN1LMNAHPGD
SCHEMBL28555839 0.78 SMN1; SMN2 (0.50) CYP1A2ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL7802203 0.77 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTNPC1
SCHEMBL6484578 0.77 FFAR1 (0.66) CYP1A2KMT2AMEN1LMNAGAA
SCHEMBL6554210 0.76 KMT2A (0.55) CYP1A2TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL3689755 0.76 ALDH1A1 (0.49) CYP1A2ALDH1A1SMN1; SMN2KMT2AMAPT

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 CYP1A2 4649/4885TSHR 1938/4885ALDH1A1 2920/4885

“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.