SCHEMBL3035441

SCHEMBL3035441

CCCCCCc1ccc(OC(=O)CCCN(C)C)cc1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.59
HTR1B P28222 1/20 0.59
CNR2 P34972 12/20 0.54
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.51
MAPT P10636 1/20 0.51
TYR P14679 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CNR1 P21554 4/20 0.49

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
SCHEMBL3954838 0.90 CNR2 (0.64) CNR2PRSS1ACRMEN1TP53
SCHEMBL7751126 0.87 CNR2 (0.61) CNR2PRSS1ACRMEN1TP53
SCHEMBL7754579 0.87 CNR2 (0.61) CNR2PRSS1ACRMEN1TP53
SCHEMBL7755450 0.87 CNR2 (0.61) CNR2PRSS1ACRMEN1TP53
SCHEMBL7755667 0.87 CNR2 (0.61) CNR2PRSS1ACRMEN1TP53
SCHEMBL3032659 0.86 MEN1 (0.55) CNR2PRSS1ACRMEN1TP53
SCHEMBL3948574 0.84 TSHR (0.55) CNR2PRSS1ACRMEN1TP53
SCHEMBL3952691 0.83 CNR2 (0.57) CNR2PRSS1ACRMEN1TP53
SCHEMBL3034727 0.83 CNR2 (0.57) HTR1AHTR1BCNR2MEN1TP53
SCHEMBL6022639 0.81 TYR (0.64) CNR2PRSS1ACRMEN1TP53

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 HTR1A 1456/4885HTR1B 1939/4885CNR2 4435/4885

“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.