SCHEMBL6154493

SCHEMBL6154493

CCCCOC(=O)CC(CC(=O)OCCCC)OC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 1/20 0.56
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
CETP P11597 3/20 0.41
MAPT P10636 1/20 0.41
SLC15A1 P46059 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL6154031 0.96 ALDH1A1 (0.51) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6153452 0.95 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6153249 0.95 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6154329 0.95 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6153293 0.95 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6154564 0.95 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6154244 0.92 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6154481 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRTDP1MAPK1
SCHEMBL6154936 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL6153580 0.82 ABCB1 (0.51) ALDH1A1L3MBTL1TDP1MAPK1KMT2A

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 ALDH1A1 434/4885L3MBTL1 3103/4885TSHR 3921/4885

“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.