SCHEMBL6909317

SCHEMBL6909317

CCOc1cc(OC(C)=O)ccc1C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
KMT2A Q03164 3/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.42
STK17B O94768 1/20 0.41
CREBBP Q92793 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
SCHEMBL391347 0.88 KDM4E (0.55) TDP1KDM4EMAPTMAPK1CYP3A4
SCHEMBL7952926 0.87 KDM4E (0.70) TDP1KDM4EMAPTMAPK1CYP3A4
SCHEMBL1500933 0.86 KDM4E (0.58) TDP1KDM4EMAPTMAPK1CYP3A4
SCHEMBL27009292 0.86 TDP1 (0.64) TDP1KDM4EMAPTMAPK1TSHR
SCHEMBL6908590 0.84 KDM4E (0.76) TDP1KDM4EMAPTMAPK1CYP3A4
SCHEMBL6615190 0.82 KDM4E (0.54) KDM4EMAPTMAPK1CYP3A4TSHR
SCHEMBL1501250 0.82 KDM4E (0.54) TDP1KDM4EMAPTMAPK1CYP3A4
SCHEMBL7797959 0.81 TDP1 (0.58) TDP1KDM4EMAPTMAPK1TSHR
SCHEMBL6095119 0.81 TSHR (0.58) KDM4EMAPTMAPK1TSHRMTNR1A
SCHEMBL9150083 0.81 KDM4E (0.56) KDM4EMAPTMAPK1CYP3A4TSHR

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 2 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
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 1135/4885KDM4E 195/4885MAPT 1883/4885

“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.