SCHEMBL284108

SCHEMBL284108

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
SYK P43405 1/20 0.43
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 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
SCHEMBL27549907 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1SYKKMT2A
SCHEMBL284109 0.86 SYK (0.39) ALDH1A1L3MBTL1MAPK1SYKKMT2A
SCHEMBL27775029 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1SYKKMT2A
SCHEMBL20663477 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1SYKKMT2A
SCHEMBL7332893 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1SYKKMT2A
Ammonia Solution, Strong SCHEMBL27724814 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1SYKKMT2A
SCHEMBL284241 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL12990128 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1SYKKMT2A
SCHEMBL22481266 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1SYKKMT2A
SCHEMBL394244 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1SYKKMT2A

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 ALDH1A1 1349/4885L3MBTL1 3792/4885MAPK1 4440/4885

“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.