SCHEMBL17138197

SCHEMBL17138197

CCCCC(CC)C(=O)Oc1ccc(C2CC(=O)c3c(OC(=O)C(CC)CCCC)cc(OC(=O)C(CC)CCCC)cc3O2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.61
ACHE P22303 2/20 0.61
ROR1 Q01973 1/20 0.48
ATM Q13315 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 1/20 0.43
TAS2R31 P59538 1/20 0.43

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
SCHEMBL17138198 0.85 GAA (0.45) BCHEACHEATMGAAXBP1
SCHEMBL22107739 0.81 BCHE (0.68) BCHEACHEROR1ATMALDH1A1
SCHEMBL20581659 0.81 BCHE (0.68) BCHEACHEROR1ATMALDH1A1
SCHEMBL16781757 0.79 BCHE (0.62) BCHEACHEROR1ALDH1A1KDM4E
SCHEMBL17138200 0.78 GAA (0.43) BCHEACHEATMALDH1A1GAA
SCHEMBL31022637 0.78 BCHE (0.69) BCHEACHEROR1ATMALDH1A1
SCHEMBL6726368 0.78 BCHE (0.69) BCHEACHEROR1ATMALDH1A1
SCHEMBL23813679 0.76 BCHE (0.64) BCHEACHEROR1ATMALDH1A1
SCHEMBL23620805 0.73 BCHE (0.55) BCHEACHEROR1ATMALDH1A1
SCHEMBL23620806 0.73 BCHE (0.54) BCHEACHEROR1ATMALDH1A1

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 BCHE 2837/4885ACHE 2498/4885ROR1 1558/4885

“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.