SCHEMBL21840243

SCHEMBL21840243

CCCCCc1cc(OC)c(I)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 5/20 0.45
CNR2 P34972 3/20 0.44
TNKS2 Q9H2K2 1/20 0.43
OPRM1 P35372 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL21864130 0.88 PTGS2 (0.51) PTGS2PPARGPPARACYP3A4ALOX5
SCHEMBL5514786 0.82 PTGS2 (0.61) PTGS2PPARGPPARAALOX5
SCHEMBL10774727 0.81 PTGS2 (0.59) PTGS2PPARGPPARAALOX5
SCHEMBL10772012 0.81 PTGS2 (0.59) PTGS2PPARGPPARAALOX5
SCHEMBL10773005 0.81 PTGS2 (0.59) PTGS2PPARGPPARAALOX5
SCHEMBL28770054 0.81 ALOX5 (0.62) PTGS2PPARGPPARACYP3A4ALOX5
SCHEMBL19348319 0.79 PPARG (0.53) PTGS2PPARGPPARACYP3A4ALOX5
SCHEMBL23068241 0.78 ALOX5 (0.66) PTGS2CYP3A4ALOX5TNKS2
SCHEMBL11864023 0.78 PPARG (0.48) PTGS2PPARGPPARACYP3A4ALOX5
SCHEMBL21864134 0.78 GPR84 (0.47) PTGS2PPARGPPARACYP3A4ALOX5

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-20210276936-A1 Synthesis of Cannabigerol TREEHOUSE BIOTECH, INC. 2021-09-09 US disclosed
US-20210276936-A1 Synthesis of Cannabigerol TREEHOUSE BIOTECH, INC. 2021-09-09 US disclosed
EP-3864000-A1 SYNTHESIS OF CANNABIGEROL CANOPY HOLDINGS, LLC (US) 2021-08-18 EP disclosed
US-11040932-B2 Synthesis of cannabigerol TREEHOUSE BIOTECH, INC. (US) 2021-06-22 US disclosed
US-11040932-B2 Synthesis of cannabigerol TREEHOUSE BIOTECH, INC. (US) 2021-06-22 US disclosed
US-20200115306-A1 SYNTHESIS OF CANNABIGEROL TREEHOUSE BIOTECH, INC. 2020-04-16 US disclosed
US-20200115306-A1 SYNTHESIS OF CANNABIGEROL TREEHOUSE BIOTECH, INC. 2020-04-16 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-20200115306-A1 SYNTHESIS OF CANNABIGEROL COASY, ACSL3, SQLE PTGS2 248/4885PPARG 441/4885PPARA 395/4885
US-11040932-B2 Synthesis of cannabigerol COASY, ACSL3, SQLE PTGS2 248/4885PPARG 441/4885PPARA 395/4885
US-20210276936-A1 Synthesis of Cannabigerol COASY, ACSL3, SQLE PTGS2 248/4885PPARG 441/4885PPARA 395/4885

“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.