SCHEMBL2384355

SCHEMBL2384355

COC(=O)c1ccc(CC2CCCCCCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.53
PTGS2 P35354 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
OPRK1 P41145 1/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL6440483 0.81 PTGS2 (0.53) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL7802955 0.80 PTGS2 (0.55) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL24866800 0.80 PTGS2 (0.62) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL11793578 0.80 CA1 (0.54) PTGS1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL6963348 0.79 LOXL2 (0.54) NPC1ALDH1A1SMN1; SMN2KMT2ACA1
SCHEMBL2468497 0.78 PTGS2 (0.63) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL7372634 0.78 CA1 (0.56) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL15874736 0.78 CA1 (0.56) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL11790802 0.77 NPC1 (0.56) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL11794580 0.77 ESR1 (0.56) PTGS1PTGS2NPC1RAB9AALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12048710-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-30 US disclosed
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-11278554-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-22 US disclosed
US-20210000965-A1 ENRICHMENT-TRIGGERED CHEMICAL DELIVERY SYSTEM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2021-01-07 US disclosed
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
US-10434111-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-08 US disclosed
US-20160243135-A1 Compositions and Methods for Modification of Biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-25 US disclosed
US-20160243135-A1 Compositions and Methods for Modification of Biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-25 US disclosed
US-20110213123-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-09-01 US disclosed
US-20110213123-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-09-01 US disclosed
US-7807619-B2 cycloalkyne compounds reacting with an azide moiety on a target biomolecule, by biochemical conjugation; for its application in vivo (on the cell surface or intracellularly) or in vitro (synthesis of peptides); labeling THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-05 US disclosed
US-7807619-B2 cycloalkyne compounds reacting with an azide moiety on a target biomolecule, by biochemical conjugation; for its application in vivo (on the cell surface or intracellularly) or in vitro (synthesis of peptides); labeling THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-05 US disclosed
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-12 US disclosed
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-12 US disclosed
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-12 US disclosed
EP-1812031-A2 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-01 EP disclosed
US-20060110782-A1 cycloalkyne compounds reacting with an azide moiety on a target biomolecule, by biochemical conjugation; for its application in vivo (on the cell surface or intracellularly) or in vitro (synthesis of peptides); labeling THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-05-25 US disclosed
WO-2006050262-A2 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-05-11 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 (10 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-12048710-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-10434111-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-20090068738-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-11278554-B2 Compositions and methods for modification of biomolecules PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-20160243135-A1 Compositions and Methods for Modification of Biomolecules PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-20110213123-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP PTGS1 2564/4885PTGS2 2726/4885NPC1 4502/4885
US-20210000965-A1 ENRICHMENT-TRIGGERED CHEMICAL DELIVERY SYSTEM HMGB1, PAICS, CCL2 PTGS1 1219/4885PTGS2 1197/4885NPC1 1364/4885
US-20060110782-A1 cycloalkyne compounds reacting with an azide moiety on a target biomolecule, by biochemical conjugation; for its application in vivo (on the cell surface or intracellularly) or in vitro (synthesis of peptides); labeling PTMS, QPCT, DNPEP PTGS1 2434/4885PTGS2 2792/4885NPC1 4228/4885

“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.