SCHEMBL17138198

SCHEMBL17138198

CCCCC(CC)C(=O)Oc1ccc([C@H]2CC(=O)c3cc(OC(=O)C(CC)CCCC)cc(OC(=O)C(CC)CCCC)c3O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
ESR1 P03372 6/20 0.40
ESR2 Q92731 6/20 0.40
CYP19A1 P11511 3/20 0.37
CYP3A4 P08684 1/20 0.37
MAOB P27338 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL17138197 0.85 BCHE (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138200 0.74 GAA (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138153 0.70 KDM4E (0.56) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11641394 0.70 CYP3A4 (0.50) GAAATMCYP19A1CYP3A4
SCHEMBL17138137 0.69 BCHE (0.58) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL14286960 0.68 L3MBTL1 (0.53) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138221 0.68 ALDH1A1 (0.60) CYP3A4ABCG2ABCB1
SCHEMBL26985478 0.67 L3MBTL1 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL27314199 0.67 L3MBTL1 (0.65) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138145 0.67 ADORA3 (0.51) 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.