SCHEMBL17138221

SCHEMBL17138221

CCCCC(CC)C(=O)Oc1cc(OC(=O)C(CC)CCCC)c2c(c1)OC(c1ccc(OC(=O)C(CC)CCCC)c(OC(=O)C(CC)CCCC)c1)C(OC(=O)C(CC)CCCC)C2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
ABCB1 P08183 13/20 0.45
STING1 Q86WV6 2/20 0.44
F10 P00742 3/20 0.41
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL5086331 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL5086354 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
Catechin Pentaacetate SCHEMBL719419 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
(+/-)-Pentaacetylcatechin SCHEMBL719420 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
Epicatechin Pentaacetate SCHEMBL14691288 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
(+/-)-Pentaacetylcatechin SCHEMBL14701425 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL17138200 0.75 GAA (0.43) ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL5086350 0.73 XDH (0.54) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL23496268 0.73 SYNJ2 (0.50) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL13099988 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 ALDH1A1 133/4885CYP3A4 1037/4885MAPK1 1198/4885

“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.