SCHEMBL2016744

SCHEMBL2016744

COc1cc(OCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCOc2ccc(CO)c(OC)c2)ccc1CO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CNR1 P21554 1/20 0.46
APLNR P35414 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAOB P27338 2/20 0.38

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
SCHEMBL2025290 0.88 CNR1 (0.46) CNR2CNR1APLNR
SCHEMBL28296806 0.84 APLNR (0.42) CNR2CNR1APLNRTHRATHRB
SCHEMBL2046234 0.84 PPARA (0.52) CNR2CNR1THRATHRB
SCHEMBL1229002 0.82 DHFR (0.53) CNR2CNR1
SCHEMBL2019712 0.82 CNR2 (0.45) CNR2CNR1THRATHRB
SCHEMBL31614853 0.82 CNR2 (0.45) CNR2CNR1THRATHRB
SCHEMBL22589091 0.81 CNR2 (0.51) CNR2CNR1THRATHRB
SCHEMBL1552422 0.81 PDCD1 (0.40) CNR2CNR1APLNRTHRATHRB
SCHEMBL16301494 0.81 PDE3B (0.43) CNR2CNR1APLNRTHRATHRB
SCHEMBL120379 0.81 DHFR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518041-A1 BENZYL COMPOUND Ajinomoto Co., Inc. (JP) 2012-10-31 EP claimed
US-20110160433-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2011-06-30 US claimed
US-12351601-B2 Method for producing peptide continuously AJINOMOTO CO., INC. (JP) 2025-07-08 US disclosed
US-20250188118-A1 LIQUID PHASE PEPTIDE SYNTHESIS METHODS AMGEN INC. (US) 2025-06-12 US disclosed
WO-2025122535-A2 LIQUID PHASE PEPTIDE SYNTHESIS METHODS AMGEN INC. (US) 2025-06-12 WO disclosed
US-20220041648-A1 METHOD FOR PRODUCING PEPTIDE CONTINUOUSLY AJINOMOTO CO., INC. (JP) 2022-02-10 US disclosed
US-9334302-B2 Method for removing FMOC group AJINOMOTO CO., INC. (JP) 2016-05-10 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
US-20140296483-A1 METHOD FOR REMOVING FMOC GROUP AJINOMOTO CO., INC. (JP) 2014-10-02 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-20250188118-A1 LIQUID PHASE PEPTIDE SYNTHESIS METHODS VIP, RNGTT, SSU72 CNR2 4682/4885CNR1 4670/4885APLNR 419/4885
US-20220041648-A1 METHOD FOR PRODUCING PEPTIDE CONTINUOUSLY VIP, NPPA, NGLY1 CNR2 4197/4885CNR1 4108/4885APLNR 263/4885
US-20110160433-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN CNR2 2139/4885CNR1 2142/4885APLNR 867/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN CNR2 2139/4885CNR1 2142/4885APLNR 867/4885
US-20140296483-A1 METHOD FOR REMOVING FMOC GROUP ESD, HM13, FURIN CNR2 2710/4885CNR1 3237/4885APLNR 2304/4885
US-12351601-B2 Method for producing peptide continuously VIP, NPPA, NGLY1 CNR2 4197/4885CNR1 4108/4885APLNR 263/4885

“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.