SCHEMBL17138129

SCHEMBL17138129

CCCCC(CC)C(=O)Oc1cc(OC(=O)C(CC)CCCC)c2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 2/20 0.38
CYP3A4 P08684 1/20 0.38
TACR3 P29371 1/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37

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
SCHEMBL27759674 0.89 ALDH1A1 (0.46) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL3188466 0.86 L3MBTL1 (0.55) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL11691368 0.85 ALDH1A1 (0.48) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL28375343 0.84 L3MBTL1 (0.49) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL23271867 0.82 CA2 (0.51) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL30003410 0.82 CA2 (0.51) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL17938465 0.80 CA2 (0.56) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL28441481 0.79 PPARG (0.50) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL2294906 0.79 L3MBTL1 (0.59) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL14286960 0.78 L3MBTL1 (0.53) L3MBTL1GAAXBP1ATMNPSR1

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 L3MBTL1 2433/4885GAA 4138/4885XBP1 3610/4885

“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.