SCHEMBL6909316

SCHEMBL6909316

CCOc1cc(CC(=O)O)ccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
GAA P10253 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PTGS1 P23219 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
CA5A P35218 1/20 0.46
THRB P10828 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL391346 0.88 TDP1 (0.48) TDP1GAAALDH1A1TSHRNFKB1
SCHEMBL6916631 0.88 TDP1 (0.58) TDP1GAAALDH1A1TSHRFFAR4
SCHEMBL7802422 0.88 TDP1 (0.64) TDP1GAAALDH1A1TSHRFFAR4
SCHEMBL2889364 0.86 GAA (0.64) TDP1GAAALDH1A1TSHRNFKB1
SCHEMBL3225523 0.86 TSHR (0.51) TDP1GAAALDH1A1TSHRNFKB1
SCHEMBL10013500 0.85 TSHR (0.56) TDP1GAAALDH1A1TSHRNFKB1
SCHEMBL16954218 0.85 TDP1 (0.61) TDP1GAAALDH1A1TSHRFFAR4
SCHEMBL14892610 0.85 FFAR4 (0.59) TDP1GAAALDH1A1TSHRNFKB1
SCHEMBL7888553 0.82 L3MBTL1 (0.53) TDP1ALDH1A1TSHRSLC22A12KMT2A
SCHEMBL6379083 0.81 KDM4E (0.51) TDP1GAAALDH1A1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249188-A1 Process for the preparation of 3-ethoxy-4-(alkoxy carbonyl)-phenyl acetic acid. (an intermediate of repaglinide) DR. REDDY'S LABORATORIES LIMITED 2004-12-09 US claimed
CN-101220007-B Method for producing repaglinide Zhejiang nexchem pharmaceutical co ltd 2010-09-15 CN disclosed
CN-101220007-A Method for producing repaglinide ZHEJIANG NEXCHEM PHARMACEUTICA (CN) 2008-07-16 CN disclosed
US-20040249188-A1 Process for the preparation of 3-ethoxy-4-(alkoxy carbonyl)-phenyl acetic acid. (an intermediate of repaglinide) DR. REDDY'S LABORATORIES LIMITED 2004-12-09 US 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-20040249188-A1 Process for the preparation of 3-ethoxy-4-(alkoxy carbonyl)-phenyl acetic acid. (an intermediate of repaglinide) ALDH1A1, ADRM1, ALDH7A1 TDP1 1135/4885GAA 93/4885ALDH1A1 1/4885

“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.