SCHEMBL6828564

SCHEMBL6828564

Cc1ccc(C(C)(C)CCC=O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.44
CNR2 P34972 14/20 0.44
ESR1 P03372 5/20 0.38
AR P10275 2/20 0.38
ESR2 Q92731 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
SCHEMBL6826195 0.89 ESR1 (0.52) CNR1CNR2ESR1ARESR2
SCHEMBL6828563 0.83 CNR1 (0.41) CNR1CNR2ESR1ARESR2
SCHEMBL5890023 0.80 ALDH1A1 (0.47) CNR1CNR2
SCHEMBL6823447 0.78 SHBG (0.52) ESR1ARESR2
SCHEMBL6828614 0.77 ALDH1A1 (0.47) CNR1CNR2
SCHEMBL6828554 0.76 CNR1 (0.39) CNR1CNR2AR
SCHEMBL9858398 0.75 TSHR (0.43) CNR2
SCHEMBL4401972 0.75 ESR1 (0.52) CNR1CNR2ESR1ARESR2
SCHEMBL13096081 0.74 SHBG (0.57) CNR1CNR2ESR1ARESR2
SCHEMBL9858653 0.73 TSHR (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof IAPP, DPP4, SI CNR1 4741/4885CNR2 4776/4885ESR1 4733/4885

“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.