SCHEMBL2019712

SCHEMBL2019712

CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)(COCCCCCCCCCCCCCCCCCC)COc1ccc(CO)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
CNR1 P21554 2/20 0.45
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
PLA2G4B P0C869 1/20 0.38
NR5A1 Q13285 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
SCHEMBL31614853 1.00 CNR2 (0.45) CNR2CNR1THRATHRBMEN1
SCHEMBL2022606 0.88 CNR1 (0.43) CNR2CNR1THRATHRBMEN1
SCHEMBL31614847 0.88 CNR1 (0.43) CNR2CNR1THRATHRBMEN1
SCHEMBL2016744 0.82 CNR2 (0.46) CNR2CNR1THRATHRB
SCHEMBL2017326 0.80 MAOB (0.50) CNR2CNR1THRATHRBALDH1A1
SCHEMBL2016739 0.80 THRA (0.40) CNR2CNR1THRATHRBMEN1
SCHEMBL2016734 0.80 THRA (0.40) CNR2CNR1THRATHRBMEN1
SCHEMBL2017497 0.78 CNR2 (0.53) CNR2CNR1THRATHRBMEN1
SCHEMBL135802 0.78 NR5A1 (0.53) CNR2THRATHRBMEN1ALDH1A1
SCHEMBL3682775 0.78 NR5A1 (0.53) CNR2THRATHRBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859732-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2014-10-14 US claimed
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
WO-2020218497-A1 METHOD FOR PRODUCING PEPTIDE CONTINUOUSLY 味の素株式会社 2020-10-29 WO 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-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-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-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
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 (3 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 CNR2 2139/4885CNR1 2142/4885THRA 3778/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN CNR2 2139/4885CNR1 2142/4885THRA 3778/4885
US-20140296483-A1 METHOD FOR REMOVING FMOC GROUP ESD, HM13, FURIN CNR2 2710/4885CNR1 3237/4885THRA 3109/4885

“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.