SCHEMBL5583400

SCHEMBL5583400

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 2/20 0.50
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40
CASR P41180 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 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
SCHEMBL27889264 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL13347474 0.86 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL5052181 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL4361293 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL29573208 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL27918543 0.85 ALDH1A1 (0.58) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL12050502 0.85 ALDH1A1 (0.58) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL9775501 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL12894152 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA
SCHEMBL23072537 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894373-A N-substituted benzylpyrazole derivatives as beta 2 Use of allosteric modulators, antagonists and agonists of the adrenergic receptor 常州大学 2023-04-04 CN disclosed
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-20070190526-A1 Methods of extracting nucleic acids NEXGEN DIAGNOSTICS LLC 2007-08-16 US disclosed
US-20070185322-A1 Methods of extracting RNA NEXGEN DIAGNOSTICS LLC 2007-08-09 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
US-5981146-A CONTAINING A COMPOUND HAVING A SULFONIC ACID GROUP OR A CARBONIC ACID GROUP IS FORMED ON A CHEMICAL-AMPLIFICATION-TYPE RESIST FILM OF A SEMICONDUCTTOR SUBSTRATE, FOLLOWED BY PERFORMING EXPOSURE MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1999-11-09 US 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 (3 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-20070190526-A1 Methods of extracting nucleic acids DNASE1, RNASE1, POLRMT ALDH1A1 4435/4885CYP1A2 4857/4885TSHR 3187/4885
US-20070185322-A1 Methods of extracting RNA RNASE1, RNASEH1, DNASE1 ALDH1A1 4718/4885CYP1A2 4864/4885TSHR 2538/4885
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.