SCHEMBL6201854

SCHEMBL6201854

COC(O)c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.49
ACP3 P15309 1/20 0.44
ACHE P22303 4/20 0.44
EPHX1 P07099 1/20 0.40
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM5A P29375 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL13140614 0.79 HDAC4 (0.47) AOC3TP53TDP1LMNAALDH1A1
SCHEMBL28582936 0.79 CYP3A4 (0.47) AOC3TP53TDP1ALDH1A1
SCHEMBL6204449 0.79 ADRB1 (0.53) ACHELMNAALDH1A1
SCHEMBL12314496 0.78 AOC3 (0.51) AOC3ACP3ACHEALDH1A1MAPK1
SCHEMBL3197758 0.78 AOC3 (0.51) AOC3ACP3ACHEALDH1A1MAPK1
SCHEMBL11606507 0.78 ACHE (0.52) AOC3ACP3ACHEEPHX1TP53
SCHEMBL6205134 0.78 ALDH1A1 (0.38) AOC3ACHETDP1ALDH1A1MAPK1
SCHEMBL6035448 0.78 ACHE (0.52) AOC3ACP3ACHEEPHX1TP53
SCHEMBL822105 0.78 ACHE (0.52) AOC3ACP3ACHEEPHX1TP53
SCHEMBL23190399 0.78 SLC6A3 (0.40) AOC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 AOC3 4460/4885ACP3 4427/4885ACHE 1756/4885

“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.