SCHEMBL5583377

SCHEMBL5583377

CC(C)(C)C(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
ALDH1A1 P00352 7/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 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
SCHEMBL20548567 0.90 MAOB (0.56) MAOBALDH1A1HTTNPSR1TSHR
SCHEMBL18919691 0.87 ALDH1A1 (0.50) MAOBALDH1A1HTTNPSR1TSHR
SCHEMBL5583251 0.85 MAOB (0.53) MAOBALDH1A1HTTNPSR1TSHR
SCHEMBL5604684 0.85 MAOB (0.53) MAOBALDH1A1HTTNPSR1TSHR
SCHEMBL12611778 0.84 MAOB (0.53) MAOBALDH1A1HTTNPSR1TSHR
SCHEMBL19193136 0.83 ALDH1A1 (0.48) MAOBALDH1A1HTTNPSR1TSHR
SCHEMBL1108184 0.83 MAOB (0.61) MAOBALDH1A1HTTTSHRKMT2A
SCHEMBL13883939 0.82 MAOB (0.51) MAOBALDH1A1HTTNPSR1TSHR
SCHEMBL286962 0.82 MAOB (0.56) MAOBALDH1A1HTTTSHRKMT2A
SCHEMBL17938431 0.82 NPC1 (0.49) ALDH1A1NPSR1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011603-B2 Process for preparing a carbapenem antibiotic JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-07-03 US disclosed
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-07-27 US disclosed
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-07-27 US disclosed
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-6866981-B2 Mixture of cationic polymer containing unsaturated aromatic compound and sulfonated aromatic compound, photoinitiator and acid generator MITSUBISHI PAPER MILLS LIMITED (JP) 2005-03-15 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
US-20030190548-A1 Mixture of cationic polymer containing unsaturated aromatic compound and sulfonated aromatic compound, photoinitiator and acid generator MITSUBISHI PAPER MILLS LIMITED (JP) 2003-10-09 US 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 (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-10011603-B2 Process for preparing a carbapenem antibiotic MGAM, HAMP, MB MAOB 2362/4885ALDH1A1 3271/4885HTT 4009/4885
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC MGAM, HAMP, MB MAOB 2362/4885ALDH1A1 3271/4885HTT 4009/4885
US-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK MAOB 1362/4885ALDH1A1 2920/4885HTT 2457/4885

“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.