SCHEMBL5583481

SCHEMBL5583481

O=C(OC(c1ccccc1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 5/20 0.38
GPR35 Q9HC97 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL5583271 0.88 CYP1A2 (0.48) TSHRCYP1A2NPSR1ALDH1A1TDP1
SCHEMBL2034070 0.86 VCAM1 (0.37) TSHRCYP1A2NPSR1ALDH1A1GPR35
SCHEMBL2029853 0.85 ALDH1A1 (0.34) TSHRCYP1A2NPSR1ALDH1A1TDP1
SCHEMBL2034068 0.85 MEN1 (0.37) TSHRCYP1A2NPSR1ALDH1A1TDP1
SCHEMBL2029622 0.85 MAPT (0.43) NPSR1ALDH1A1TDP1MAPTMEN1
SCHEMBL2028581 0.84 TDP1 (0.37) TSHRCYP1A2NPSR1ALDH1A1TDP1
SCHEMBL2052797 0.83 HCAR3 (0.38) CYP1A2NPSR1ALDH1A1L3MBTL1MAPT
SCHEMBL2028578 0.82 HCAR3 (0.42) ALDH1A1TDP1L3MBTL1MAPTMEN1
SCHEMBL2032596 0.80 HCAR3 (0.41) CYP1A2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL2034278 0.80 MAPT (0.41) TSHRCYP1A2NPSR1ALDH1A1TDP1

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 TSHR 1938/4885CYP1A2 4649/4885NPSR1 3149/4885

“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.