SCHEMBL284109

SCHEMBL284109

CC(C)(C)OC(=O)CCC(CCC(=O)O)(CC(C(=O)O)(C(C)(C)C)C(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
ALDH1A1 P00352 3/20 0.37
PPARA Q07869 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
IDO1 P14902 1/20 0.33
LTA4H P09960 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL284108 0.86 ALDH1A1 (0.46) SYKALDH1A1PPARAMAPK1L3MBTL1
SCHEMBL284241 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1HTTKMT2A
SCHEMBL27775029 0.76 ALDH1A1 (0.42) SYKALDH1A1PPARAMAPK1L3MBTL1
SCHEMBL27549907 0.76 ALDH1A1 (0.44) SYKALDH1A1MAPK1L3MBTL1KMT2A
Ammonia Solution, Strong SCHEMBL27724814 0.75 ALDH1A1 (0.41) SYKALDH1A1PPARAMAPK1L3MBTL1
SCHEMBL22829843 0.74 HTT (0.47) SYKALDH1A1PPARAMAPK1L3MBTL1
SCHEMBL20663477 0.73 ALDH1A1 (0.44) SYKALDH1A1MAPK1L3MBTL1HTT
SCHEMBL7332893 0.73 ALDH1A1 (0.56) SYKALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL11763275 0.72 ALDH1A1 (0.43) SYKALDH1A1MAPK1L3MBTL1HTT
SCHEMBL27865151 0.72 ALDH1A1 (0.43) SYKALDH1A1MAPK1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912332-B2 Synthesis of trivalent flexible frameworks with ligands comprising catechol units for functionalizing surfaces JUSTUS-LIEBIG-UNIVERSITAET GIESSEN (DE) 2014-12-16 US disclosed
EP-2428503-B1 Synthesis of tripodal catechol derivatives with a flexible base for functionalising surfaces Justus Liebig Universität Giessen (DE) 2014-12-10 EP disclosed
US-20130245270-A1 Synthesis of Trivalent Flexible Frameworks with Ligands Comprising Catechol Units for Functionalizing Surfaces JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-09-19 US disclosed
EP-2428503-A1 Synthesis of tripodal catechol derivatives with a flexible base for functionalising surfaces Justus-Liebig-Universität Gießen (DE) 2012-03-14 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-20130245270-A1 Synthesis of Trivalent Flexible Frameworks with Ligands Comprising Catechol Units for Functionalizing Surfaces CHRM3, CHRM5, CHRM4 SYK 914/4885ALDH1A1 1349/4885PPARA 1962/4885

“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.