SCHEMBL17138171

SCHEMBL17138171

CCCCC(CC)C(=O)Oc1cc(C=Cc2ccc(OC(=O)C(CC)CCCC)c(OC(=O)C(CC)CCCC)c2)cc(OC(=O)C(CC)CCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
XBP1 P17861 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TOP2A P11388 3/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TTR P02766 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 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
SCHEMBL17138167 0.88 GAA (0.56) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL31518913 0.83 GAA (0.47) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL6990016 0.78 TOP2A (0.47) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL14286960 0.76 L3MBTL1 (0.53) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL3188466 0.76 L3MBTL1 (0.55) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138161 0.76 L3MBTL1 (0.65) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17953135 0.75 L3MBTL1 (0.55) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17938465 0.75 CA2 (0.56) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138129 0.74 L3MBTL1 (0.51) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL23591625 0.73 CA2 (0.53) GAAXBP1ATMNPSR1L3MBTL1

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 GAA 4138/4885XBP1 3610/4885ATM 3215/4885

“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.