SCHEMBL4115449

SCHEMBL4115449

CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.72
CNR1 P21554 10/20 0.72
TSHR P16473 2/20 0.56
LTB4R Q15722 1/20 0.56
LTB4R2 Q9NPC1 1/20 0.56
CYSLTR2 Q9NS75 1/20 0.55
CYSLTR1 Q9Y271 1/20 0.55
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
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL4108174 1.00 CNR2 (0.72) CNR2CNR1TSHRLTB4RLTB4R2
SCHEMBL4113024 1.00 CNR2 (0.72) CNR2CNR1TSHRLTB4RLTB4R2
SCHEMBL4109243 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL4110899 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL4115441 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL9698367 0.83 CNR2 (0.62) CNR2CNR1TSHRMEN1TP53
SCHEMBL25168636 0.83 LTB4R (0.77) LTB4RLTB4R2CYSLTR2CYSLTR1MEN1
SCHEMBL4109823 0.82 CNR2 (0.72) CNR2CNR1TSHRMEN1TP53
SCHEMBL3950873 0.82 CNR2 (0.57) CNR2CNR1TSHRCYSLTR2CYSLTR1
SCHEMBL4120040 0.82 CNR2 (0.72) CNR2CNR1TSHRMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090043129-A1 POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-02-12 US claimed
EP-1846364-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS Universita' Degli Studi di Siena (IT) 2007-10-24 EP claimed
WO-2006080040-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2006-08-03 WO claimed
US-20090043129-A1 POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-02-12 US disclosed
EP-1846364-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS Universita' Degli Studi di Siena (IT) 2007-10-24 EP disclosed
WO-2006080040-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2006-08-03 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-20090043129-A1 POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS CNR2, CNR1, GPR18 CNR2 1/4885CNR1 2/4885TSHR 1694/4885

“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.