SCHEMBL6154152

SCHEMBL6154152

C=CCOC(=O)CC(O)CC(=O)OCC=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 3/20 0.31
EPHX2 P34913 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1907257 0.90 TDP1 (0.42) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL2201472 0.88 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL2201733 0.88 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL6532603 0.88 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL9749118 0.88 TSHR (0.49) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL2201739 0.88 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL3836310 0.88 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL6530600 0.88 TSHR (0.49) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL670416 0.88 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL8650694 0.86 TDP1 (0.46) TDP1TSHRCYP3A4NPSR1SMN1; SMN2

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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-06-02 US disclosed
EP-1500642-A1 3-SUBSTITUTED OXYGLUTARIC DIESTER COMPOUND, OPTICALLY ACTIVE 3-SUBSTITUTED OXYGLUTARIC MONOESTER COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2005-01-26 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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these OGDH, GLUL, ADSL TDP1 4700/4885TSHR 3921/4885CYP3A4 393/4885

“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.