SCHEMBL3406649

SCHEMBL3406649

COc1cccc(/C=C/C=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.69
▸ ERN1 O75460 1/20 0.69
▸ TLR1 Q15399 1/20 0.69
▸ TLR6 Q9Y2C9 1/20 0.69
▸ MAPT P10636 5/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ ABL1 P00519 1/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ BCR P11274 1/20 0.56
▸ TXNRD1 Q16881 1/20 0.53
▸ TXNRD3 Q86VQ6 1/20 0.53
▸ TXNRD2 Q9NNW7 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ BACE1 P56817 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 2/20 0.51

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
SCHEMBL6372773 1.00 TLR2 (0.69) TLR2ERN1TLR1TLR6MAPT
SCHEMBL9900345 0.83 NFE2L2 (0.61) MAPTKDM4ENPC1MAPK1RAB9A
SCHEMBL29393422 0.83 NFE2L2 (0.61) MAPTKDM4ENPC1MAPK1RAB9A
SCHEMBL43264 0.83 NFE2L2 (0.61) MAPTKDM4ENPC1MAPK1RAB9A
SCHEMBL228813 0.83 NFE2L2 (0.61) MAPTKDM4ENPC1MAPK1RAB9A
SCHEMBL31004887 0.83 NFE2L2 (0.61) MAPTKDM4ENPC1MAPK1RAB9A
SCHEMBL18570324 0.82 CDK4 (0.50) TLR2ERN1TLR1TLR6MAPT
SCHEMBL16004 0.82 ERN1 (1.00) TLR2ERN1TLR1TLR6MAPT
SCHEMBL929734 0.82 ERN1 (1.00) TLR2ERN1TLR1TLR6MAPT
SCHEMBL30485148 0.82 ERN1 (1.00) TLR2ERN1TLR1TLR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124630-A1 FLAVOUR IMPROVING SUBSTANCES Givaudan Nederland Services B.V. (NL) 2009-12-02 — — EP claimed
WO-2008105652-A1 FLAVOUR IMPROVING SUBSTANCES GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 — — WO claimed
EP-2223299-B1 HOLOGRAPHIC RECORDING MEDIUM SOUTHBOURNE INVEST LTD (GB) 2015-03-11 — — EP disclosed
US-8435701-B2 Holographic recording medium SOUTHBOURNE INVESTMENTS LTD. (GB) 2013-05-07 — — US disclosed
EP-2223299-A1 HOLOGRAPHIC RECORDING MEDIUM Southbourne Investments Ltd. (GB) 2010-09-01 — — EP disclosed
EP-2124630-A1 FLAVOUR IMPROVING SUBSTANCES Givaudan Nederland Services B.V. (NL) 2009-12-02 — — EP disclosed
EP-2124630-A1 FLAVOUR IMPROVING SUBSTANCES Givaudan Nederland Services B.V. (NL) 2009-12-02 — — EP disclosed
WO-2009067788-A1 HOLOGRAPHIC RECORDING MEDIUM SOUTHBOURNE INVESTMENTS LTD. (GB) 2009-06-04 — — WO disclosed
WO-2008105652-A1 FLAVOUR IMPROVING SUBSTANCES GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 — — WO disclosed
WO-2008105652-A1 FLAVOUR IMPROVING SUBSTANCES GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 — — WO disclosed
CN-1253423-C Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO KK (JP) 2006-04-26 — — CN disclosed
US-20050175755-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO CO., INC. (JP) 2005-08-11 — — US disclosed
CN-1566058-A Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO KK (JP) 2005-01-19 — — CN disclosed
US-6794531-B2 ARTIFICIAL SWEETENER AJINOMOTO CO., INC. (JP) 2004-09-21 — — US disclosed
US-20040176472-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO CO., INC. (JP) 2004-09-09 — — US disclosed
CN-1378559-A Process for producing aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for producing the intermediate AJINOMOTO KK (JP) 2002-11-06 — — CN disclosed
US-20020133037-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof AJINOMOTO CO. INC (JP) 2002-09-19 — — US disclosed
EP-1231215-A1 PROCESS FOR THE PRODUCTION OF ASPARTYLDIPEPTIDE ESTER DERIVATIVES, NOVEL INTERMEDIATES THEREFOR AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES Ajinomoto Co., Inc. (JP) 2002-08-14 — — EP 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 (2 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-20020133037-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof DPP4, DNPEP, IAPP TLR2 3506/4885ERN1 1521/4885TLR1 1899/4885
US-20040176472-A1 Process for production of aspartyl dipeptide ester derivative, novel production intermediate therefor, and process for production thereof DPP4, DNPEP, IAPP TLR2 3506/4885ERN1 1521/4885TLR1 1899/4885

“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.

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