SCHEMBL818688

SCHEMBL818688

CC(C)(C=O)C(=O)OCC1=CCC2CC1C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.40
SCN9A Q15858 1/20 0.40
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CXCR3 P49682 4/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24281979 0.87 TDP1 (0.46) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL18944183 0.87 TDP1 (0.46) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL821222 0.87 TDP1 (0.46) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL12128655 0.85 TDP1 (0.44) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL818819 0.84 TDP1 (0.43) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL9984718 0.81 TDP1 (0.50) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL9984711 0.81 TDP1 (0.50) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL17213189 0.81 TDP1 (0.45) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL17213188 0.81 TDP1 (0.45) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL17204348 0.81 TDP1 (0.45) TDP1KDM4ETSHRHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016762-A1 DUAL ANALGESIC/ANTI-INFLAMMATORY COMPOSITIONS COMPRISING CB2 RECEPTOR AGONISTS, COMBINATIONS, AND METHODS OF USE THEREOF Altus Formulation Inc. (CA) 2024-01-18 US disclosed
EP-4199916-A1 DUAL ANALGESIC/ANTI-INFLAMMATORY COMPOSITIONS COMPRISING CB2 RECEPTOR AGONISTS, COMBINATIONS, AND METHODS OF USE THEREOF Altus Formulation Inc. (CA) 2023-06-28 EP disclosed
WO-2022036455-A1 DUAL ANALGESIC/ANTI-INFLAMMATORY COMPOSITIONS COMPRISING CB2 RECEPTOR AGONISTS, COMBINATIONS, AND METHODS OF USE THEREOF Altus Formulation Inc. (CA) 2022-02-24 WO disclosed
EP-2346804-B1 COMPOSITION COMPRISING CB RECEPTOR AGONISTS AND USES THEREOF YISSUM RES DEV CO (IL) 2017-03-08 EP disclosed
US-9428431-B2 Compositions comprising CB receptor agonists, uses thereof and methods for their preparation YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2016-08-30 US disclosed
US-20110269842-A1 COMPOSITIONS COMPRISING CB RECEPTOR AGONISTS, USES THEREOF AND METHODS FOR THEIR PREPARATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2011-11-03 US disclosed
EP-2346804-A1 COMPOSITIONS COMPRISING CB RECEPTOR AGONISTS, USES THEREOF AND METHODS FOR THEIR PREPARATION Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) 2011-07-27 EP disclosed
WO-2010041253-A1 COMPOSITIONS COMPRISING CB RECEPTOR AGONISTS, USES THEREOF AND METHODS FOR THEIR PREPARATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2010-04-15 WO disclosed
US-20070060636-A1 High enantiomeric purity dexanabinol for pharmaceutical compositions PHARMOS CORPORATION 2007-03-15 US disclosed
EP-1567513-A2 HIGH ENANTIOMERIC PURITY DEXANABINOL FOR PHARMACEUTICAL COPOSITIONS PHARMOS CORPORATION (US) 2005-08-31 EP disclosed
WO-2004050011-A2 HIGH ENANTIOMERIC PURITY DEXANABINOL FOR PHARMACEUTICAL COPOSITIONS PHARMOS CORPORATION (US) 2004-06-17 WO disclosed
US-20040110827-A1 High enantiomeric purity dexanabinol for pharmaceutical compositions PHARMOS CORPORATION 2004-06-10 US disclosed
US-4282248-A ANALGESICS, TRANQUILIZERS, CNS DEPRESSANTS YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, MOUNT SCOPUS, JERUSALEM 1981-08-04 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 (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-20240016762-A1 DUAL ANALGESIC/ANTI-INFLAMMATORY COMPOSITIONS COMPRISING CB2 RECEPTOR AGONISTS, COMBINATIONS, AND METHODS OF USE THEREOF CNR2, CNR1, OPRL1 TDP1 4639/4885KDM4E 3954/4885TSHR 1587/4885
US-20110269842-A1 COMPOSITIONS COMPRISING CB RECEPTOR AGONISTS, USES THEREOF AND METHODS FOR THEIR PREPARATION CNR1, CNR2, ADRA2C TDP1 3789/4885KDM4E 2762/4885TSHR 505/4885
US-20070060636-A1 High enantiomeric purity dexanabinol for pharmaceutical compositions CNR2, CNR1, PDE8B TDP1 756/4885KDM4E 2262/4885TSHR 2752/4885
US-20040110827-A1 High enantiomeric purity dexanabinol for pharmaceutical compositions CNR2, CNR1, PDE8B TDP1 756/4885KDM4E 2262/4885TSHR 2752/4885

“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.