SCHEMBL821682

SCHEMBL821682

CC(C)(C)C(=O)OCC1=CC(=O)C2CC1C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
PGR P06401 2/20 0.31
LMNA P02545 1/20 0.31
NR1I2 O75469 1/20 0.31
NR3C1 P04150 1/20 0.31
CNR2 P34972 1/20 0.30
CYP3A4 P08684 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL18944058 1.00 ELANE (0.34) ELANENPC1SMN1; SMN2POLBGAA
SCHEMBL24281977 1.00 ELANE (0.34) ELANENPC1SMN1; SMN2POLBGAA
SCHEMBL26201117 0.84 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL26201180 0.77 ELANE (0.35) ELANENPC1SMN1; SMN2POLBGAA
SCHEMBL821222 0.75 TDP1 (0.46) SMN1; SMN2KMT2AKDM4E
SCHEMBL18944183 0.75 TDP1 (0.46) SMN1; SMN2KMT2AKDM4E
SCHEMBL24281979 0.75 TDP1 (0.46) SMN1; SMN2KMT2AKDM4E
SCHEMBL821494 0.74 ELANE (0.33) ELANENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL31320358 0.74 ELANE (0.33) ELANENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL17388254 0.74 ELANE (0.33) ELANENPC1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2017093749-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CANNABINOID COMPOUNDS E-THERAPEUTICS PLC (GB) 2017-06-08 WO 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-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
US-20070060636-A1 High enantiomeric purity dexanabinol for pharmaceutical compositions PHARMOS CORPORATION 2007-03-15 US disclosed
US-20070060636-A1 High enantiomeric purity dexanabinol for pharmaceutical compositions PHARMOS CORPORATION 2007-03-15 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 (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-20110269842-A1 COMPOSITIONS COMPRISING CB RECEPTOR AGONISTS, USES THEREOF AND METHODS FOR THEIR PREPARATION CNR1, CNR2, ADRA2C ELANE 3436/4885NPC1 734/4885SMN1; SMN2 1825/4885
US-20070060636-A1 High enantiomeric purity dexanabinol for pharmaceutical compositions CNR2, CNR1, PDE8B ELANE 1995/4885NPC1 2119/4885SMN1; SMN2 536/4885
US-20230271908-A1 METHODS, PROCESSES, AND COMPOSITIONS FOR IMPROVED PREPARATION OF HU308 AND HU433 CYP3A43, PRMT8, MGMT ELANE 1084/4885NPC1 3226/4885SMN1; SMN2 1169/4885

“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.