SCHEMBL2016622

SCHEMBL2016622

CCCCCCCCCCCCCCCCCCOC1CC(C(=O)OC)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.45
PPP5C P53041 1/20 0.37
DNTT P04053 1/20 0.37
EPHX1 P07099 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
POLA1 P09884 1/20 0.36

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
SCHEMBL2017266 0.84 GBA1 (0.47) GBA1PPP5C
SCHEMBL15470821 0.77 GBA1 (0.48) GBA1PPP5CTSHRALDH1A1LMNA
SCHEMBL19401348 0.76 CHRNB2 (0.42) PPP5CDNTTCHRNB2CHRNB4CHRNA3
SCHEMBL533902 0.74 GBA1 (0.50) GBA1PPP5CTHRB
SCHEMBL13165909 0.74 GBA1 (0.46) GBA1PPP5CTSHRALDH1A1
SCHEMBL19549582 0.74 GBA1 (0.46) GBA1PPP5CTSHRALDH1A1LMNA
SCHEMBL2019586 0.73 SPHK1 (0.41) EPHX1LMNATHRATHRB
SCHEMBL9475595 0.73 POLB (0.42) GBA1PPP5CDNTTEPHX1TSHR
SCHEMBL19549635 0.71 GBA1 (0.46) GBA1TSHRALDH1A1
SCHEMBL1297968 0.71 NAAA (0.52) EPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919928-B2 Oligonucleotide production method, and nucleoside, nucleotide, or oligonucleotide AJINOMOTO CO., INC. (JP) 2021-02-16 US disclosed
US-10464966-B2 Precipitation promoter and precipitation method in which same is used AJINOMOTO CO., INC. (JP) 2019-11-05 US disclosed
EP-3398955-A1 OLIGONUCLEOTIDE PRODUCTION METHOD, AND NUCLEOSIDE, NUCLEOTIDE, OR OLIGONUCLEOTIDE AJINOMOTO CO., INC. (JP) 2018-11-07 EP disclosed
US-20180282365-A1 OLIGONUCLEOTIDE PRODUCTION METHOD, AND NUCLEOSIDE, NUCLEOTIDE, OR OLIGONUCLEOTIDE AJINOMOTO CO., INC. (JP) 2018-10-04 US disclosed
US-20170320904-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED AJINOMOTO CO., INC. (JP) 2017-11-09 US disclosed
US-20170320904-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED AJINOMOTO CO., INC. (JP) 2017-11-09 US disclosed
US-9206230-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2015-12-08 US disclosed
US-20140371424-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2014-12-18 US disclosed
US-8859732-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2014-10-14 US disclosed
EP-2518041-A1 BENZYL COMPOUND Ajinomoto Co., Inc. (JP) 2012-10-31 EP disclosed
US-20110160433-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2011-06-30 US 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 (6 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-20110160433-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN GBA1 844/4885PPP5C 4416/4885DNTT 1618/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN GBA1 844/4885PPP5C 4416/4885DNTT 1618/4885
US-20180282365-A1 OLIGONUCLEOTIDE PRODUCTION METHOD, AND NUCLEOSIDE, NUCLEOTIDE, OR OLIGONUCLEOTIDE NUDT1, RNGTT, POLN GBA1 3057/4885PPP5C 900/4885DNTT 30/4885
US-20170320904-A1 PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED SP1, MED25, CTCF GBA1 3924/4885PPP5C 2073/4885DNTT 802/4885
US-10919928-B2 Oligonucleotide production method, and nucleoside, nucleotide, or oligonucleotide POLL, POLM, NUDT1 GBA1 1539/4885PPP5C 1893/4885DNTT 270/4885
US-10464966-B2 Precipitation promoter and precipitation method in which same is used SP1, MED25, CTCF GBA1 3924/4885PPP5C 2073/4885DNTT 802/4885

“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.