SCHEMBL6716372

SCHEMBL6716372

COC(=O)c1ccc(-c2ccc(C(OC)OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
TDP1 Q9NUW8 1/20 0.52
CA7 P43166 1/20 0.52
PTPN1 P18031 1/20 0.49
TSHR P16473 1/20 0.48
ERN1 O75460 2/20 0.47
EGFR P00533 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SETD7 Q8WTS6 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL5639207 0.94 CA1 (0.57) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.84 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL19387238 0.84 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL6713317 0.84 EGFR (0.55) CA1CA2CA12CA9CA14
SCHEMBL2627834 0.83 CA1 (0.56) CA1CA2CA12CA9CA14
SCHEMBL6715937 0.83 RXRA (0.53) CA1CA2CA12CA9CA14
SCHEMBL14789159 0.83 CA12 (0.54) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.82 CA1 (0.67) CA1CA2CA12CA9CA14
SCHEMBL18259883 0.82 LOXL2 (0.51) CA1CA2CA12CA9CA14
SCHEMBL28949912 0.81 CA1 (0.55) CA1CA2CA12CA9CA14

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 CA1 3246/4885CA2 2273/4885CA12 3105/4885

“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.