SCHEMBL6337285

SCHEMBL6337285

COc1ccc(C(C)(C)CC(=O)O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
AOX1 Q06278 1/20 0.42
TRPV1 Q8NER1 3/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL6535890 0.86 SLC13A5 (0.44) GAAALDH1A1SLC13A5
SCHEMBL6826197 0.83 ALDH1A1 (0.49) GAAALDH1A1TSHRTDP1CYP1A2
SCHEMBL6828426 0.83 CYP2C19 (0.55) GAAALDH1A1MAPT
SCHEMBL3662594 0.80 CNR1 (0.50) GAACNR1CNR2ALDH1A1TSHR
SCHEMBL19261801 0.80 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL6336769 0.80 CA5A (0.41) ALDH1A1SLC13A5MAPT
SCHEMBL7603025 0.79 GAA (0.50) GAAALDH1A1TSHRNFKB1AOX1
SCHEMBL5890020 0.78 ALDH1A1 (0.50) GAACNR1CNR2ALDH1A1TSHR
SCHEMBL17963707 0.78 GAA (0.49) GAAALDH1A1TSHRNFKB1AOX1
SCHEMBL3661439 0.78 CNR1 (0.58) CNR1CNR2TSHRNFKB1CYP1A2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014972-A1 Novel intermediate for sweetener with high sweetness and process for producing the same AJINOMOTO CO., INC. (JP) 2005-01-20 US claimed
US-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2004-11-18 US claimed
US-20040133027-A1 Novel intermediate for sweetener with high sweetness and process for producing the same AJINOMOTO CO., INC. (JP) 2004-07-08 US claimed
US-20030216592-A1 Novel intermediate for sweetener with high sweetness and process forproducing the same AJINOMOTO CO., INC. (JP) 2003-11-20 US claimed
CN-1391553-A Novel intermediate for sweetener with high sweetness and process for producing the same AJINOMOTO KK (JP) 2003-01-15 CN claimed
US-20020132032-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2002-09-19 US claimed
EP-1236713-A1 NOVEL INTERMEDIATE FOR SWEETENER WITH HIGH SWEETNESS AND PROCESS FOR PRODUCING THE SAME Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
EP-1219633-A1 PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE Ajinomoto Co., Inc. (JP) 2002-07-03 EP claimed
US-20050014972-A1 Novel intermediate for sweetener with high sweetness and process for producing the same AJINOMOTO CO., INC. (JP) 2005-01-20 US disclosed
CN-1566141-A Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO KK (JP) 2005-01-19 CN disclosed
CN-1566141-A Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO KK (JP) 2005-01-19 CN disclosed
US-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2004-11-18 US disclosed
EP-1219633-A4 PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE AJINOMOTO KK (JP) 2004-10-20 EP disclosed
EP-1236713-A4 NOVEL INTERMEDIATE FOR SWEETENER WITH HIGH SWEETNESS AND PROCESS FOR PRODUCING THE SAME AJINOMOTO KK (JP) 2004-10-13 EP disclosed
EP-1236713-A1 NOVEL INTERMEDIATE FOR SWEETENER WITH HIGH SWEETNESS AND PROCESS FOR PRODUCING THE SAME Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
EP-1236713-A1 NOVEL INTERMEDIATE FOR SWEETENER WITH HIGH SWEETNESS AND PROCESS FOR PRODUCING THE SAME Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
EP-1219633-A1 PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE Ajinomoto Co., Inc. (JP) 2002-07-03 EP disclosed
EP-1219633-A1 PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE Ajinomoto Co., Inc. (JP) 2002-07-03 EP disclosed
WO-2001038297-A1 NOVEL INTERMEDIATE FOR SWEETENER WITH HIGH SWEETNESS AND PROCESS FOR PRODUCING THE SAME AJINOMOTO CO., INC. (JP) 2001-05-31 WO disclosed
WO-2001027142-A1 PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE AJINOMOTO CO., INC. (JP) 2001-04-19 WO 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 (4 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-20050014972-A1 Novel intermediate for sweetener with high sweetness and process for producing the same PCMT1, PSAT1, DPP4 GAA 648/4885CNR1 4664/4885CNR2 4623/4885
US-20030216592-A1 Novel intermediate for sweetener with high sweetness and process forproducing the same PCMT1, PSAT1, MLYCD GAA 1473/4885CNR1 4422/4885CNR2 4400/4885
US-20040133027-A1 Novel intermediate for sweetener with high sweetness and process for producing the same PCMT1, PSAT1, DNPEP GAA 779/4885CNR1 4592/4885CNR2 4545/4885
US-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof IAPP, DPP4, SI GAA 897/4885CNR1 4741/4885CNR2 4776/4885

“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.