SCHEMBL16614406

SCHEMBL16614406

CC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM6 O15303 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
TLR4 O00206 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GRM8 O00222 1/20 0.31

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
SCHEMBL14812118 0.92 ATM (0.35) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL18196813 0.83 ATM (0.37) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL18214762 0.77 ATM (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL77511 0.74 RECQL (0.55) ATMALDH1A1KDM4EPOLBMEN1
SCHEMBL30233576 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL25025784 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL6604915 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL25804455 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL25024421 0.74 ALOX15 (0.42) ATMALDH1A1KDM4EALOX15MTNR1A
SCHEMBL9620230 0.74 ATM (0.39) ATMALDH1A1KDM4EALOX15MTNR1A

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
WO-2017165170-A1 ELECTRON WITHDRAWING GROUP SUBSTITUTED AND MACROCYCLIC PGJ3 ANALOGS AND METHODS OF TREATMENT THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2017-09-28 WO disclosed
US-20170267787-A1 OXIDIZED POLY ALPHA-1,3-GLUCAN Nutrition & Biosciences USA 4, Inc. 2017-09-21 US disclosed
US-9695253-B2 Oxidized poly alpha-1,3-glucan E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-04 US disclosed
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
US-20150259439-A1 OXIDIZED POLY ALPHA-1,3-GLUCAN Nutrition & Biosciences USA 4, Inc. 2015-09-17 US disclosed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 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-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS DGKZ, DGKG, DNAJA3 ATM 2254/4885ALDH1A1 3849/4885KDM4E 3528/4885

“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.