SCHEMBL18944183

SCHEMBL18944183

CC(C)(C)C(=O)OCC1=CC[C@@H]2C[C@H]1C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 2/20 0.44
SCN9A Q15858 1/20 0.43
KCNH2 Q12809 1/20 0.42
CXCR3 P49682 6/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL821222 1.00 TDP1 (0.46) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL24281979 1.00 TDP1 (0.46) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL12128655 0.89 TDP1 (0.44) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL818819 0.88 TDP1 (0.43) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL14572732 0.88 KDM4E (0.35) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL818688 0.87 TDP1 (0.42) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL9984711 0.85 TDP1 (0.50) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL9984718 0.85 TDP1 (0.50) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL112576 0.84 TDP1 (0.49) TDP1KDM4ETSHRHTTMAPK1
SCHEMBL15798092 0.84 TDP1 (0.49) 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 7 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
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
US-20230271908-A1 METHODS, PROCESSES, AND COMPOSITIONS FOR IMPROVED PREPARATION OF HU308 AND HU433 TETRA BIO-PHARMA INC. (CA) 2023-08-31 US disclosed
US-20230271908-A1 METHODS, PROCESSES, AND COMPOSITIONS FOR IMPROVED PREPARATION OF HU308 AND HU433 TETRA BIO-PHARMA INC. (CA) 2023-08-31 US disclosed
WO-2022061461-A1 METHODS, PROCESSES, AND COMPOSITIONS FOR IMPROVED PREPARATION OF HU308 AND HU433 TETRA BIO-PHARMA INC. (CA) 2022-03-31 WO disclosed
US-10450251-B2 Process for the preparation of 3-substituted cannabinoid compounds E-THERAPEUTICS PLC (GB) 2019-10-22 US disclosed
WO-2017093749-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CANNABINOID COMPOUNDS E-THERAPEUTICS PLC (GB) 2017-06-08 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 (3 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-20230271908-A1 METHODS, PROCESSES, AND COMPOSITIONS FOR IMPROVED PREPARATION OF HU308 AND HU433 CYP3A43, PRMT8, MGMT TDP1 1951/4885KDM4E 1026/4885TSHR 3573/4885
US-10450251-B2 Process for the preparation of 3-substituted cannabinoid compounds CNR1, CNR2, CBR1 TDP1 4244/4885KDM4E 2705/4885TSHR 3276/4885

“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.