SCHEMBL17138153

SCHEMBL17138153

CCCCC(CC)C(=O)Oc1ccc(-c2coc3cc(OC(=O)C(CC)CCCC)cc(OC(=O)C(CC)CCCC)c3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
CYP3A4 P08684 4/20 0.56
HSD17B10 Q99714 4/20 0.56
TP53 P04637 4/20 0.56
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.49
ALDH2 P05091 7/20 0.49
ATM Q13315 2/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 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
SCHEMBL31236167 0.82 SMN1; SMN2 (0.69) KDM4ESMN1; SMN2CYP3A4HSD17B10TP53
SCHEMBL17138145 0.82 ADORA3 (0.51) KDM4ECYP3A4ALDH1A1ATMGAA
SCHEMBL17138137 0.80 BCHE (0.58) KDM4ESMN1; SMN2CYP3A4HSD17B10ALDH1A1
SCHEMBL2072196 0.77 KDM4E (0.89) KDM4ESMN1; SMN2CYP3A4HSD17B10TP53
SCHEMBL17138215 0.76 ADORA3 (0.60) KDM4ECYP3A4HSD17B10ALDH1A1ATM
SCHEMBL20519927 0.70 L3MBTL1 (0.57) SMN1; SMN2CYP3A4ALDH1A1ATMGAA
SCHEMBL17138198 0.70 GAA (0.45) CYP3A4ATMGAAXBP1NPSR1
SCHEMBL14286960 0.69 L3MBTL1 (0.53) SMN1; SMN2ALDH1A1ATMGAAXBP1
SCHEMBL28282719 0.69 L3MBTL1 (0.59) SMN1; SMN2CYP3A4ALDH1A1ATMGAA
SCHEMBL11940752 0.69 ALDH2 (0.65) KDM4ESMN1; SMN2CYP3A4HSD17B10TP53

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 KDM4E 494/4885SMN1; SMN2 1635/4885CYP3A4 1037/4885

“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.