SCHEMBL6650169

SCHEMBL6650169

COC(=O)C(=O)C(C(=O)OC)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.47
TSHR P16473 4/20 0.46
SLC6A3 Q01959 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP2 P08253 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL6651323 1.00 TP53 (0.54) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL19941727 0.86 TP53 (0.62) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL6862095 0.86 TP53 (0.62) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL19942011 0.86 TP53 (0.62) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL4491334 0.84 THRB (0.61) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL4970293 0.81 TP53 (0.57) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL9488672 0.81 TP53 (0.57) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL20930470 0.80 TP53 (0.44) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL17073955 0.80 TP53 (0.49) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL27908674 0.80 THRB (0.61) TP53ALDH1A1NPSR1SMN1; SMN2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489504-B2 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US claimed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
EP-1132369-B1 Malic acid and oxalacetic acid derivatives DAICEL CHEM (JP) 2004-06-09 EP disclosed
US-6489504-B2 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20010056120-A1 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-27 US disclosed
EP-1132369-A1 Malic acid and oxalacetic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2001-09-12 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-20010056120-A1 Malic acid and oxalacetic acid derivatives ME1, ME3, MLYCD TP53 2541/4885ALDH1A1 107/4885NPSR1 4762/4885

“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.