SCHEMBL283757

SCHEMBL283757

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.44
SLC6A11 P48066 5/20 0.43
SLC6A1 P30531 2/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
NPY2R P49146 1/20 0.37
KIF11 P52732 2/20 0.36
KCNH2 Q12809 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
SCHEMBL23215181 1.00 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL13690826 1.00 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9692839 0.93 SLC6A11 (0.47) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL25797601 0.86 TYMP (0.38) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL298850 0.85 SLC6A11 (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL5930032 0.83 TYMP (0.46) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL22879082 0.83 TYMP (0.46) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL5930041 0.83 TYMP (0.46) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL6650591 0.82 TYMP (0.39) TYMPSLC6A1MEN1KMT2AKIF11
SCHEMBL2217199 0.81 TYMP (0.45) TYMPSLC6A11SLC6A1MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516896-A Artificial deoxyribose with hypoxia microenvironment response and application thereof 上海交通大学医学院附属仁济医院 2022-05-20 CN disclosed
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
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
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 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-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 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
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 US disclosed
WO-2009048936-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-16 WO disclosed
EP-0459176-B1 Oligophosphates with antiviral activity BAYER AG (DE) 1995-09-06 EP disclosed
US-5169842-A OLIGOPHOSPHATES WITH AN ANTIVIRAL ACTION BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
EP-0459176-A2 Oligophosphates with antiviral activity BAYER AG (DE) 1991-12-04 EP 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 (4 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 TYMP 4567/4885SLC6A11 1263/4885SLC6A1 1071/4885
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R TYMP 4693/4885SLC6A11 1297/4885SLC6A1 1389/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 TYMP 4316/4885SLC6A11 1026/4885SLC6A1 929/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R TYMP 4693/4885SLC6A11 1297/4885SLC6A1 1389/4885

“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.