SCHEMBL13059632

SCHEMBL13059632

CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC15A1 P46059 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
MAOB P27338 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
SCHEMBL12890758 1.00 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL12890635 1.00 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL12890754 1.00 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL16706567 0.94 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL16706570 0.94 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19303305 0.87 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL733325 0.86 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL14530084 0.85 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19956533 0.85 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL732790 0.85 ALDH1A1 (0.38) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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-20100279118-A1 SURFACE MODIFICATION OF METAL OXIDE NANOPARTICLES SPARKXIS B.V. (NL) 2010-11-04 US disclosed
US-20100279118-A1 SURFACE MODIFICATION OF METAL OXIDE NANOPARTICLES SPARKXIS B.V. (NL) 2010-11-04 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-20100279118-A1 SURFACE MODIFICATION OF METAL OXIDE NANOPARTICLES CD63, SOD1, EPCAM ALDH1A1 349/4885KMT2A 756/4885TDP1 4739/4885

“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.