SCHEMBL17138192

SCHEMBL17138192

CCCCC(CC)C(=O)Oc1cccc(OC(=O)C(CC)CCCC)c1OC(=O)C(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
CA1 P00915 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
XBP1 P17861 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 2/20 0.43
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
PPARG P37231 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
PRSS1 P07477 1/20 0.40

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
SCHEMBL17938445 0.92 CA2 (0.46) CA2CA1L3MBTL1GAAXBP1
SCHEMBL17938465 0.89 CA2 (0.56) CA2CA1L3MBTL1GAAXBP1
SCHEMBL31148261 0.84 L3MBTL1 (0.55) CA2CA1L3MBTL1GAAXBP1
SCHEMBL27133241 0.84 CA2 (0.50) CA2CA1L3MBTL1GAAXBP1
SCHEMBL20398628 0.83 CA2 (0.53) CA2CA1L3MBTL1GAAXBP1
SCHEMBL29372067 0.83 CA2 (0.53) CA2CA1L3MBTL1GAAXBP1
SCHEMBL11691368 0.83 ALDH1A1 (0.48) CA2CA1L3MBTL1GAAXBP1
SCHEMBL21910122 0.83 CA2 (0.46) CA2CA1L3MBTL1GAAXBP1
SCHEMBL23271867 0.82 CA2 (0.51) CA2CA1L3MBTL1GAAXBP1
SCHEMBL30003410 0.82 CA2 (0.51) CA2CA1L3MBTL1GAAXBP1

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 CA2 456/4885CA1 2437/4885L3MBTL1 2433/4885

“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.