SCHEMBL6916631

SCHEMBL6916631

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 5/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.47
GFER P55789 1/20 0.47
FFAR4 Q5NUL3 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AB1 P08238 1/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 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
SCHEMBL6909316 0.88 TDP1 (0.58) TDP1ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL7802422 0.88 TDP1 (0.64) TDP1ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL16954218 0.85 TDP1 (0.61) TDP1ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL28601211 0.84 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2GAAGFER
SCHEMBL5162366 0.82 TDP1 (0.48) TDP1ALDH1A1SMN1; SMN2GAACYP4F2
SCHEMBL24450637 0.82 ALDH1A1 (0.60) TDP1ALDH1A1GAAGFERCYP4F2
SCHEMBL18887599 0.82 TSHR (0.56) TDP1ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL21605365 0.81 ALDH1A1 (0.59) TDP1ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL27009292 0.78 TDP1 (0.64) TDP1ALDH1A1GAAKDM4EKMT2A
SCHEMBL2847294 0.78 TDP1 (0.64) TDP1ALDH1A1HTTSMN1; SMN2GAA

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 1 patent. 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 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 1135/4885ALDH1A1 1/4885HTT 1401/4885

“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.