SCHEMBL5475558

SCHEMBL5475558

CC(C)COC(=O)CC(O)(CC(=O)OCC(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 5/20 0.39
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
NR1H3 Q13133 1/20 0.32
SLC13A5 Q86YT5 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 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
SCHEMBL2829363 0.94 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1MAPT
SCHEMBL20377392 0.90 TSHR (0.37) ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL722547 0.84 TSHR (0.39) ALDH1A1TSHRTDP1L3MBTL1MAPT
SCHEMBL425246 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSLC13A5KDM4E
SCHEMBL428393 0.83 ALDH1A1 (0.48) ALDH1A1TSHRMAPTSLC13A5KDM4E
SCHEMBL5475556 0.82 ALDH1A1 (0.38) ALDH1A1TSHRTDP1L3MBTL1SLC13A5
SCHEMBL489813 0.82 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMAPK1SLC13A5
SCHEMBL8968381 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPTSLC13A5KDM4E
Methoxymethane SCHEMBL28185584 0.81 TSHR (0.37) ALDH1A1TSHRTDP1L3MBTL1GAA
SCHEMBL28497805 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPTSLC13A5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018065475-A1 METHOD FOR THE PRODUCTION OF METHYLSUCCINIC ACID AND THE ANHYDRIDE THEREOF FROM CITRIC ACID KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-04-12 WO disclosed
US-20070275022-A1 Cosmetic Hair Preparation LION CORPORATION (JP) 2007-11-29 US disclosed
US-5391771-A Reacting citric acid or esters on hydrogenation catalyst in nonaqueous solvent BASF AKTIENGESELLSCHAFT 1995-02-21 US 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-20070275022-A1 Cosmetic Hair Preparation CUTA, H1-10, PUF60 ALDH1A1 1020/4885TSHR 3396/4885TDP1 3809/4885

“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.