SCHEMBL17138167

SCHEMBL17138167

CCCCC(CC)C(=O)Oc1ccc(C=Cc2cc(OC(=O)C(CC)CCCC)cc(OC(=O)C(CC)CCCC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
XBP1 P17861 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TTR P02766 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AHR P35869 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP19A1 P11511 2/20 0.44
TAS1R3 Q7RTX0 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
SCHEMBL17138171 0.88 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL22268380 0.80 TTR (0.60) GAATTRKDM4EMEN1LMNA
SCHEMBL17138161 0.79 L3MBTL1 (0.65) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL26985478 0.79 L3MBTL1 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL27314199 0.79 L3MBTL1 (0.65) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL18466207 0.79 GAA (0.57) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2294906 0.78 L3MBTL1 (0.59) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28282719 0.77 L3MBTL1 (0.59) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL8208789 0.76 L3MBTL1 (0.58) GAAXBP1ATMNPSR1L3MBTL1
Ammonia Solution, Strong SCHEMBL10503063 0.76 L3MBTL1 (0.58) 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.