SCHEMBL22353258

SCHEMBL22353258

CCCc1cc(OCCO)c(O)c(-c2cc(CCC)cc(OCCO)c2O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 3/20 0.54
GABRA1 P14867 8/20 0.43
GABRB2 P47870 8/20 0.43
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LTA4H P09960 1/20 0.39
ALOX5 P09917 2/20 0.38
TNKS O95271 1/20 0.35
IDO1 P14902 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL31351924 0.79 TNKS2 (0.71) TNKS2GABRA1GABRB2GABRA5GABRA3
SCHEMBL8081097 0.79 TNKS2 (0.71) TNKS2GABRA1GABRB2GABRA5GABRA3
SCHEMBL31351925 0.79 TNKS2 (0.71) TNKS2GABRA1GABRB2GABRA5GABRA3
SCHEMBL6022953 0.78 TNKS2 (0.56) TNKS2CNR1CNR2
SCHEMBL25382404 0.75 TNKS2 (0.65) TNKS2GABRA1GABRB2GABRA5GABRA3
SCHEMBL20399476 0.74 GABRA1 (0.49) TNKS2GABRA1GABRB2GABRA5GABRA3
SCHEMBL16978333 0.73 CNR1 (0.49) GABRA1GABRB2CNR1CNR2ALOX5
SCHEMBL20399293 0.72 GABRA1 (0.47) GABRA1GABRB2CNR1CNR2
SCHEMBL8120125 0.70 CNR1 (0.57) TNKS2GABRA1GABRB2GABRA5GABRA3
SCHEMBL8133536 0.70 MEN1 (0.45) GABRA1GABRB2CNR1CNR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174343-B2 Bioderived biphenyl-containing compounds and their conversion to polymers and macromonomers ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2021-11-16 US disclosed
US-20200262972-A1 BIODERIVED BIPHENYL-CONTAINING COMPOUNDS AND THEIR CONVERSION TO POLYMERS AND MACROMONOMERS Alliance for Energy Innovation, LLC 2020-08-20 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 (2 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-20200262972-A1 BIODERIVED BIPHENYL-CONTAINING COMPOUNDS AND THEIR CONVERSION TO POLYMERS AND MACROMONOMERS CYP1B1, PHB2, PCBP1 TNKS2 1576/4885GABRA1 1533/4885GABRB2 477/4885
US-11174343-B2 Bioderived biphenyl-containing compounds and their conversion to polymers and macromonomers CYP1B1, PHB2, PCBP1 TNKS2 1576/4885GABRA1 1533/4885GABRB2 477/4885

“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.