SCHEMBL813248

SCHEMBL813248

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 3/20 0.43
ADAM17 P78536 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 5/20 0.39
CPA1 P15085 3/20 0.37
CNR2 P34972 1/20 0.37
GSR P00390 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL809461 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4NPC1ADAM17MEN1
SCHEMBL809606 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4NPC1ADAM17MEN1
SCHEMBL809532 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL809493 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL813624 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL1319211 0.84 ALDH1A1 (0.38) ALDH1A1CYP3A4NPC1MEN1KMT2A
SCHEMBL1319209 0.84 ALDH1A1 (0.38) ALDH1A1CYP3A4NPC1MEN1KMT2A
SCHEMBL27165030 0.84 ALDH1A1 (0.38) ALDH1A1CYP3A4NPC1MEN1KMT2A
SCHEMBL27204537 0.84 ALDH1A1 (0.37) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL27165110 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651954-A1 INHIBITORS OF MPTP NRG Therapeutics LTD (GB) 2025-11-26 EP disclosed
WO-2024153945-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2024-07-25 WO disclosed
US-9206090-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-08 US disclosed
CN-102203097-B Three ring chipal compounds and the purposes in asymmetry catalysis thereof NANYANG TECHNOLOGICAL UNIVERSITY SINGAPORE (SG) 2015-08-26 CN disclosed
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 US disclosed
CN-102203097-A Novel tricyclic chiral compounds and their use in asymmetric catalysis UNIV NANYANG 2011-09-28 CN disclosed
US-8008508-B2 Organocatalyst NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2011-08-30 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20110040104-A1 ORGANOCATALYST NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2011-02-17 US disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
WO-2006007586-A1 ORGANOCATALYSTS AND METHODS OF USE IN CHEMICAL SYNTHESIS SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2006-01-19 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 ALDH1A1 1287/4885CYP3A4 231/4885NPC1 902/4885
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS SCO2, CBR3, HCCS ALDH1A1 3150/4885CYP3A4 4/4885NPC1 2896/4885
US-20110040104-A1 ORGANOCATALYST C1S, C5, H1-0 ALDH1A1 1316/4885CYP3A4 34/4885NPC1 3334/4885

“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.