SCHEMBL17138187

SCHEMBL17138187

CC=CCC(=O)Oc1cccc(OC(=O)CC=CC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ACHE P22303 2/20 0.45
LMNA P02545 3/20 0.44
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL17138184 1.00 KMT2A (0.46) KMT2AMEN1ACHELMNAEGFR
SCHEMBL10577041 0.87 ELANE (0.45) KMT2ALMNAEGFRERBB2ALDH1A1
SCHEMBL9620769 0.87 ELANE (0.45) KMT2ALMNAEGFRERBB2ALDH1A1
SCHEMBL10701813 0.87 ELANE (0.45) KMT2ALMNAEGFRERBB2ALDH1A1
SCHEMBL17138132 0.84 ACHE (0.47) KMT2AMEN1ACHELMNAEGFR
SCHEMBL421378 0.76 BCL9 (0.53) KMT2AMEN1ACHELMNAALDH1A1
SCHEMBL10782553 0.75 ACHE (0.71) KMT2AMEN1ACHELMNACYP3A4
SCHEMBL7494937 0.75 LMNA (0.49) ACHELMNAEGFRERBB2MAPT
SCHEMBL11721051 0.75 LMNA (0.42) KMT2AMEN1LMNAEGFRERBB2
SCHEMBL17138135 0.74 LMNA (0.52) KMT2AMEN1ACHELMNAEGFR

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 KMT2A 580/4885MEN1 4684/4885ACHE 2498/4885

“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.