SCHEMBL17138209

SCHEMBL17138209

CCCC=CCOc1cccc(OCC=CCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
CYSLTR1 Q9Y271 3/20 0.43
CYSLTR2 Q9NS75 2/20 0.43
PPARA Q07869 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPBAR1 Q8TDU6 3/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL17138207 1.00 AOC3 (0.44) AOC3CYSLTR1CYSLTR2PPARATP53
SCHEMBL17138154 0.89 CYSLTR2 (0.50) AOC3CYSLTR1CYSLTR2PPARATP53
SCHEMBL17138155 0.89 CYSLTR2 (0.50) AOC3CYSLTR1CYSLTR2PPARATP53
SCHEMBL18547156 0.88 CYSLTR1 (0.40) AOC3CYSLTR1CYSLTR2PPARATP53
SCHEMBL18547155 0.88 CYSLTR1 (0.40) AOC3CYSLTR1CYSLTR2PPARATP53
SCHEMBL1519477 0.86 AOC3 (0.60) AOC3CYSLTR1CYSLTR2ALDH1A1LMNA
SCHEMBL1519478 0.86 AOC3 (0.60) AOC3CYSLTR1CYSLTR2ALDH1A1LMNA
SCHEMBL3771342 0.85 APP (0.48) AOC3CYSLTR1CYSLTR2PPARATP53
SCHEMBL3654739 0.85 APP (0.48) AOC3CYSLTR1CYSLTR2PPARATP53
SCHEMBL3771346 0.85 AOC3 (0.44) AOC3CYSLTR1CYSLTR2PPARATP53

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 AOC3 94/4885CYSLTR1 1220/4885CYSLTR2 1464/4885

“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.