SCHEMBL6323376

SCHEMBL6323376

CCc1ccc2cccc(C(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
CNR2 P34972 4/20 0.53
PTPN1 P18031 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
CDC25B P30305 1/20 0.45
PLA2G2D Q9UNK4 1/20 0.44
BCL2 P10415 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
METAP2 P50579 1/20 0.43
WDR5 P61964 1/20 0.43
TBXAS1 P24557 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PARP1 P09874 1/20 0.42

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
SCHEMBL345159 0.87 PTPN1 (0.60) NR4A1NR4A2NR4A3PTPN1CYP1A2
SCHEMBL6325416 0.87 CNR2 (0.53) CNR2CYP1A2CYP2A6AKR1C3AKR1C2
SCHEMBL28145024 0.84 NR4A1 (0.51) NR4A1NR4A2NR4A3CNR2PTPN1
SCHEMBL6303622 0.83 NR4A1 (0.55) NR4A1NR4A2NR4A3CNR2PTPN1
SCHEMBL10970254 0.83 CNR2 (0.50) CNR2PTPN1CYP1A2CYP2A6AKR1C3
SCHEMBL27816779 0.83 CNR2 (0.50) CNR2CYP1A2CYP2A6AKR1C3AKR1C2
SCHEMBL25223402 0.82 PPARA (0.59) CYP1A2ALDH1A1
SCHEMBL8985762 0.81 CNR2 (0.49) CNR2CYP1A2CYP2A6CDC25BALDH1A1
SCHEMBL9216545 0.80 CNR2 (0.43) NR4A1NR4A2NR4A3CNR2PTPN1
SCHEMBL5033431 0.80 CNR2 (0.47) CNR2CYP1A2CYP2A6CDC25BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 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 (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-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 NR4A1 183/4885NR4A2 281/4885NR4A3 286/4885

“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.