SCHEMBL3034727

SCHEMBL3034727

CCCCCCc1ccc(O)cc1OC(=O)CCCN(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.57
CNR1 P21554 8/20 0.57
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX5 P09917 1/20 0.48
MAPT P10636 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR2A P28223 1/20 0.46
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3946747 0.90 CNR2 (0.67) CNR2CNR1MEN1KMT2ATSHR
SCHEMBL3030328 0.86 CNR2 (0.55) CNR2CNR1MEN1KMT2ATSHR
SCHEMBL3950873 0.84 CNR2 (0.57) CNR2CNR1MEN1KMT2ATSHR
SCHEMBL3948637 0.83 CNR2 (0.60) CNR2CNR1MEN1KMT2ATSHR
SCHEMBL3035441 0.83 HTR1A (0.59) CNR2CNR1HTR1AHTR1BMEN1
SCHEMBL27293376 0.77 CNR2 (0.55) CNR2CNR1MEN1KMT2ATSHR
SCHEMBL25018133 0.75 TYR (0.50) CNR2CNR1MEN1KMT2ATSHR
SCHEMBL7754630 0.75 KMT2A (0.54) CNR2CNR1HTR1AHTR1BMEN1
SCHEMBL7751114 0.75 KMT2A (0.54) CNR2CNR1HTR1AHTR1BMEN1
SCHEMBL7751086 0.75 KMT2A (0.54) CNR2CNR1HTR1AHTR1BMEN1

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
US-20100215594-A1 Tyrosinase Inhibitors MERCK PATENT GMBH (DE) 2010-08-26 US claimed
US-20100215594-A1 Tyrosinase Inhibitors MERCK PATENT GMBH (DE) 2010-08-26 US disclosed
US-20100215594-A1 Tyrosinase Inhibitors MERCK PATENT GMBH (DE) 2010-08-26 US disclosed
US-20100215594-A1 Tyrosinase Inhibitors MERCK PATENT GMBH (DE) 2010-08-26 US disclosed
WO-2009021589-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 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-20100215594-A1 Tyrosinase Inhibitors TYR, TH, COMT CNR2 4435/4885CNR1 4099/4885HTR1A 1456/4885

“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.