SCHEMBL11062117

SCHEMBL11062117

CCOC(=O)C(c1ccc(Cl)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 9/20 0.56
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABCC1 P33527 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL23027132 1.00 FFAR2 (0.56) FFAR2CA12CA1CA2CA9
SCHEMBL10711531 0.84 ESR1 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL22838092 0.84 LMNA (0.53) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL10614521 0.84 FFAR2 (0.61) FFAR2LMNAMEN1KMT2A
SCHEMBL10614514 0.84 FFAR2 (0.61) FFAR2LMNAMEN1KMT2A
SCHEMBL1907200 0.83 ABCB11 (0.42) FFAR2CA12CA1CA2CA9
SCHEMBL9899829 0.83 ABCB11 (0.42) FFAR2CA12CA1CA2CA9
SCHEMBL10347036 0.83 ABCB11 (0.42) FFAR2CA12CA1CA2CA9
SCHEMBL7171 0.83 MAPT (0.45) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL9862938 0.82 FFAR2 (0.59) FFAR2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US disclosed
CN-111587238-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2020-08-25 CN disclosed
EP-0074008-B1 PROCESS FOR PRODUCING ALPHA-ARYLALKANOIC ACID ESTERS TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-10-10 EP disclosed
US-4433160-A Process for producing α-arylalkanoic acid ester TAISHO PHARMACEUTICAL COMPANY, LTD. (JP) 1984-02-21 US disclosed
EP-0074008-A2 Process for producing alpha-arylalkanoic acid esters TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-16 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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A FFAR2 1161/4885CA12 48/4885CA1 86/4885

“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.