SCHEMBL6154504

SCHEMBL6154504

COc1ccc(COC(=O)CC(O)CC(=O)OCc2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HTT P42858 1/20 0.49
LDHA P00338 1/20 0.49
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP9 P14780 2/20 0.47
MMP1 P03956 1/20 0.47
GAA P10253 1/20 0.46
FFAR1 O14842 2/20 0.46
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.46
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL24616786 0.89 HTT (0.51) ALDH1A1KMT2ACA1CA2HTT
SCHEMBL24387633 0.89 HTT (0.51) ALDH1A1KMT2ACA1CA2HTT
SCHEMBL5317083 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AHTTLDHAATM
SCHEMBL7360527 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AHTTLDHAATM
SCHEMBL7360535 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AHTTLDHAATM
SCHEMBL26835340 0.83 KMT2A (0.51) ALDH1A1KMT2ACA1CA2HTT
SCHEMBL22615847 0.83 KMT2A (0.51) ALDH1A1KMT2ACA1CA2HTT
SCHEMBL22619616 0.83 KMT2A (0.51) ALDH1A1KMT2ACA1CA2HTT
SCHEMBL3736036 0.83 ALDH1A1 (0.54) ALDH1A1CA1CA2HTTLDHA
SCHEMBL23750675 0.83 ALDH1A1 (0.54) ALDH1A1CA1CA2HTTLDHA

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 434/4885KMT2A 2290/4885CA1 2756/4885

“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.