SCHEMBL298850

SCHEMBL298850

COc1ccc(C(OC[C@H]2OCC[C@@H]2OC)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 5/20 0.41
SLC6A1 P30531 2/20 0.41
TYMP P19971 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KIF11 P52732 2/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC6A12 P48065 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
NPY2R P49146 1/20 0.35

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
SCHEMBL9694698 0.86 SLC6A11 (0.41) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL23215181 0.85 TYMP (0.44) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL283757 0.85 TYMP (0.44) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL13690826 0.85 TYMP (0.44) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL9692839 0.81 SLC6A11 (0.47) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL25797603 0.80 SLC6A11 (0.35) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL3629635 0.80 SLC6A11 (0.38) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL10423331 0.80 TYMP (0.41) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL25797601 0.79 TYMP (0.38) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL9694704 0.79 TYMP (0.44) SLC6A11SLC6A1TYMPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R SLC6A11 1297/4885SLC6A1 1389/4885TYMP 4693/4885

“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.