SCHEMBL17138194

SCHEMBL17138194

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.66
ACHE P22303 3/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
FFAR1 O14842 1/20 0.42
FAAH O00519 1/20 0.41
BCHE P06276 1/20 0.41
ESR1 P03372 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 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
SCHEMBL13003482 0.92 ELANE (0.61) ELANEACHEKMT2ALMNAALDH1A1
SCHEMBL27581241 0.88 ELANE (0.59) ELANEMEN1KMT2ALMNAFFAR1
SCHEMBL17138144 0.84 ALDH1A1 (0.51) ELANEACHEMEN1KMT2ALMNA
SCHEMBL17138199 0.83 ELANE (0.48) ELANEACHEMEN1KMT2ALMNA
SCHEMBL10483715 0.80 ELANE (1.00) ELANEACHEFFAR1ESR1HIF1A
SCHEMBL9724815 0.79 ELANE (0.61) ELANEMEN1KMT2ALMNAFFAR1
SCHEMBL9724817 0.79 ELANE (0.61) ELANEMEN1KMT2ALMNAFFAR1
SCHEMBL9724797 0.79 ELANE (0.57) ELANEMEN1KMT2AFFAR1ESR1
SCHEMBL10782553 0.77 ACHE (0.71) ELANEACHEMEN1KMT2ALMNA
SCHEMBL17138172 0.77 ACHE (0.42) ELANEACHEMEN1KMT2ALMNA

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 ELANE 1714/4885ACHE 2498/4885MEN1 4684/4885

“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.