SCHEMBL6154031

SCHEMBL6154031

CCCCCOC(=O)CC(CC(=O)OCCCCC)OC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 3/20 0.51
MAPK1 P28482 3/20 0.51
CYP3A4 P08684 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CETP P11597 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR2 P34972 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
SCHEMBL6153452 0.99 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL6154329 0.99 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL6154564 0.99 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL6153293 0.99 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL6153249 0.99 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL6154493 0.96 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL6154244 0.91 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL6154481 0.85 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1L3MBTL1TDP1
SCHEMBL6154936 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL874956 0.82 ALDH1A1 (0.63) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1

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 434/4885TSHR 3921/4885MAPK1 3475/4885

“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.