SCHEMBL4208696

SCHEMBL4208696

CCOC(=O)c1cc(C)c(O)c(C)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
USP2 O75604 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL27694753 0.86 CA12 (0.50) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
SCHEMBL10363552 0.77 CYP3A4 (0.72) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
SCHEMBL16302043 0.77 TSHR (0.61) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
SCHEMBL4625850 0.77 TSHR (0.61) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
SCHEMBL844149 0.77 CYP3A4 (0.49) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
SCHEMBL7379340 0.76 CYP3A4 (0.51) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
SCHEMBL23941175 0.75 TSHR (0.55) USP2ALDH1A1CA12CA1CA2
SCHEMBL301812 0.75 TSHR (0.55) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
SCHEMBL10627374 0.75 CA12 (0.59) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1
Methylorsellinic Acid, Ethyl Ester SCHEMBL4117805 0.74 CYP3A4 (0.67) CYP3A4NR1H2NR1H3SMN1; SMN2TDP1

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-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO 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-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE CYP3A4 1388/4885NR1H2 318/4885NR1H3 160/4885

“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.