SCHEMBL2019586

SCHEMBL2019586

CCCCCCCCCCCCCCCCCCOC1CC(C(=O)Nc2ccc(CO)cc2)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.41
POLB P06746 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP2 Q13822 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 4/20 0.38
S1PR5 Q9H228 4/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 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
SCHEMBL2020208 0.82 HTT (0.46) POLBMEN1KMT2AHPGD
SCHEMBL31614861 0.82 HTT (0.46) POLBMEN1KMT2AHPGD
SCHEMBL2023567 0.82 L3MBTL1 (0.42) SMN1; SMN2EPHX2
SCHEMBL2021382 0.78 HTT (0.46) POLBTHRATHRBMEN1LMNA
SCHEMBL16312388 0.77 KMT2A (0.47) POLBMEN1LMNAKMT2AENPP2
SCHEMBL2016622 0.73 GBA1 (0.45) THRATHRBLMNAEPHX1
SCHEMBL2017266 0.73 GBA1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL2016511 0.73 NPC1 (0.42) MEN1LMNAKMT2AS1PR1S1PR3
SCHEMBL2017490 0.72 MGLL (0.44) HPGD
SCHEMBL21597967 0.68 ENPP2 (0.69) POLBTHRATHRBLMNAENPP2

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
WO-2025122535-A2 LIQUID PHASE PEPTIDE SYNTHESIS METHODS AMGEN INC. (US) 2025-06-12 WO disclosed
US-20250188118-A1 LIQUID PHASE PEPTIDE SYNTHESIS METHODS AMGEN INC. (US) 2025-06-12 US 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 SPHK1 3003/4885POLB 172/4885THRA 2680/4885
US-20220041648-A1 METHOD FOR PRODUCING PEPTIDE CONTINUOUSLY VIP, NPPA, NGLY1 SPHK1 4095/4885POLB 101/4885THRA 2016/4885
US-20110160433-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN SPHK1 2695/4885POLB 3366/4885THRA 3778/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN SPHK1 2695/4885POLB 3366/4885THRA 3778/4885
US-20140296483-A1 METHOD FOR REMOVING FMOC GROUP ESD, HM13, FURIN SPHK1 963/4885POLB 3678/4885THRA 3109/4885
US-12351601-B2 Method for producing peptide continuously VIP, NPPA, NGLY1 SPHK1 4095/4885POLB 101/4885THRA 2016/4885

“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.