SCHEMBL5583285

SCHEMBL5583285

CC(OC(=O)CCl)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
CASR P41180 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL14503207 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL3620200 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL5052181 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL29573208 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL5583400 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL27889264 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL27889292 0.81 CTSL (0.47) ALDH1A1CYP1A2TSHRGAALMNA
SCHEMBL23072537 0.81 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL5583434 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL13347474 0.81 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB

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 2920/4885CYP1A2 4649/4885TSHR 1938/4885

“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.