SCHEMBL1320868

SCHEMBL1320868

COc1ccc(C(C[N+](=O)[O-])C(C)(C)C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.47
ALDH1A1 P00352 10/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
HSP90AA1 P07900 2/20 0.45
NTSR1 P30989 1/20 0.45
CNR1 P21554 1/20 0.42
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL1320865 1.00 SERPINH1 (0.47) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL27165034 1.00 SERPINH1 (0.47) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL809493 0.85 ALDH1A1 (0.43) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL809532 0.85 ALDH1A1 (0.43) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL813624 0.85 ALDH1A1 (0.43) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL1319211 0.84 ALDH1A1 (0.38) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL27165026 0.84 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHPGDCNR1
SCHEMBL1319209 0.84 ALDH1A1 (0.38) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL27165110 0.84 ALDH1A1 (0.42) SERPINH1ALDH1A1MAPTLMNAHPGD
SCHEMBL27165050 0.84 ALDH1A1 (0.42) SERPINH1ALDH1A1MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, (KR) 2024-03-07 US disclosed
US-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 US disclosed
US-9206090-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-08 US disclosed
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 US disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 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-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS PNMT, TNNC1, IDO1 SERPINH1 4784/4885ALDH1A1 2401/4885MAPT 3216/4885
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS SCO2, CBR3, HCCS SERPINH1 3623/4885ALDH1A1 3150/4885MAPT 4812/4885
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS COX6C, CBR3, CYCS SERPINH1 4248/4885ALDH1A1 4294/4885MAPT 4195/4885

“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.