SCHEMBL6715884

SCHEMBL6715884

CCCNC(Cc1ccc(O)cc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
PTGS2 P35354 3/20 0.46
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRND Q07001 5/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
FOLH1 Q04609 1/20 0.43
TSHR P16473 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42

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
SCHEMBL30493783 0.92 TSHR (0.48) BACE1POLBKMT2ANPSR1CHRND
SCHEMBL27312076 0.91 BACE1 (0.49) BACE1ESR1ESR2CHRNDCHRNA1
SCHEMBL3935754 0.90 BACE1 (0.48) BACE1ESR1ESR2CHRNDCHRNA1
SCHEMBL3935757 0.90 BACE1 (0.48) BACE1ESR1ESR2CHRNDCHRNA1
SCHEMBL19223394 0.88 POLB (0.57) POLBTSHR
SCHEMBL6714925 0.88 BACE1 (0.53) BACE1ESR1ESR2PTGS2CA12
SCHEMBL1271157 0.88 BACE1 (0.53) BACE1ESR1ESR2PTGS2CA12
SCHEMBL6936963 0.85 OPRK1 (0.53) BACE1KMT2ATSHRMDM4MDM2
SCHEMBL8246144 0.84 BACE1 (0.53) BACE1ESR1ESR2PTGS2CA12
SCHEMBL973730 0.84 BACE1 (0.53) BACE1ESR1ESR2PTGS2CA12

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-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 BACE1 4375/4885ESR1 588/4885ESR2 354/4885

“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.