SCHEMBL23629149

SCHEMBL23629149

CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.72
CNR1 P21554 14/20 0.72
TRPA1 O75762 2/20 0.72
TRPV1 Q8NER1 2/20 0.72
TRPV3 Q8NET8 2/20 0.72
TRPV4 Q9HBA0 2/20 0.72
TRPV2 Q9Y5S1 2/20 0.72
CYP1A1 P04798 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2A6 P11509 1/20 0.72
CYP2B6 P20813 1/20 0.72
SLC6A2 P23975 1/20 0.72
HTR2A P28223 1/20 0.72
SLC6A4 P31645 1/20 0.72
OPRM1 P35372 1/20 0.72
CYP2J2 P51589 1/20 0.72
CYP1B1 Q16678 1/20 0.72
PPARG P37231 1/20 0.46

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
SCHEMBL31103606 1.00 CNR2 (0.72) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29330752 0.93 CNR2 (0.70) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL31103589 0.93 CNR2 (0.70) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL17414517 0.90 CNR2 (0.69) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL16002388 0.88 CNR2 (0.66) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL22597777 0.88 CNR2 (0.66) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29976337 0.87 CNR2 (0.78) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL13214142 0.87 CNR2 (0.78) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL15994913 0.87 CNR2 (0.64) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL22597781 0.86 CNR2 (0.63) CNR2CNR1TRPA1TRPV1TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315837-A1 CANNABINOIDS FOR THE TREATMENT OF GRAM-POSITIVE INFECTIONS INCLUDING ANTIBIOTIC-RESISTANT BACTERIAL STRAINS NEMUS BIOSCIENCE, INC. 2021-10-14 US claimed
EP-3846616-A1 CANNABINOIDS FOR THE TREATMENT OF GRAM-POSITIVE INFECTIONS INCLUDING ANTIBIOTIC-RESISTANT BACTERIAL STRAINS NEMUS BIOSCIENCE, INC. (US) 2021-07-14 EP claimed
US-20220162180-A1 CANNABINOL-O-ACETATE SYNTHESIS, COMPOSITIONS, AND METHODS OF USE Marquette Analytica (US) 2022-05-26 US disclosed
US-20210315837-A1 CANNABINOIDS FOR THE TREATMENT OF GRAM-POSITIVE INFECTIONS INCLUDING ANTIBIOTIC-RESISTANT BACTERIAL STRAINS NEMUS BIOSCIENCE, INC. 2021-10-14 US disclosed
EP-3846616-A1 CANNABINOIDS FOR THE TREATMENT OF GRAM-POSITIVE INFECTIONS INCLUDING ANTIBIOTIC-RESISTANT BACTERIAL STRAINS NEMUS BIOSCIENCE, INC. (US) 2021-07-14 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 (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-20220162180-A1 CANNABINOL-O-ACETATE SYNTHESIS, COMPOSITIONS, AND METHODS OF USE CNR2, CNR1, FAAH CNR2 1/4885CNR1 2/4885TRPA1 2817/4885

“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.