SCHEMBL17138137

SCHEMBL17138137

CCCCC(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(OC(=O)C(CC)CCCC)cc(OC(=O)C(CC)CCCC)cc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.58
ACHE P22303 3/20 0.58
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCB1 P08183 1/20 0.47
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46

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
SCHEMBL17138145 0.83 ADORA3 (0.51) BCHEACHEKDM4ECYP3A4ALDH1A1
SCHEMBL17138166 0.81 ABCB1 (0.49) KDM4ECYP3A4ALDH1A1HPGDABCB1
SCHEMBL17138153 0.80 KDM4E (0.56) KDM4ECYP3A4MAPTHSD17B10ALDH1A1
SCHEMBL22076347 0.80 BCHE (0.66) BCHEACHEKDM4ECYP3A4MAPT
SCHEMBL22076402 0.80 BCHE (0.69) BCHEACHEKDM4ECYP3A4MAPT
SCHEMBL17138215 0.77 ADORA3 (0.60) KDM4ECYP3A4MAPTHSD17B10ALDH1A1
Apigenin Triacetate SCHEMBL1676023 0.76 KDM4E (0.88) BCHEACHEKDM4ECYP3A4MAPT
SCHEMBL13661091 0.72 MAOB (0.65) KDM4ECYP3A4ALDH1A1HPGDABCB1
SCHEMBL14329564 0.72 CA12 (0.59) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL20519927 0.72 L3MBTL1 (0.57) CYP3A4MAPTALDH1A1SMN1; SMN2MEN1

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 2498/4885KDM4E 494/4885

“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.