SCHEMBL17694503

SCHEMBL17694503

CCOC(=O)C(C)(C)c1cc(C)c(-c2cc(C)cc(C)c2)c(OC)c1

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.90
▸ CNR1 P21554 5/20 0.43
▸ CACNA1B Q00975 1/20 0.38
▸ STING1 Q86WV6 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL15506433 0.95 CNR2 (1.00) CNR2CNR1CACNA1BSTING1ALDH1A1
SCHEMBL15506435 0.90 CNR2 (1.00) CNR2CNR1ALDH1A1GAA
SCHEMBL17694504 0.88 CNR2 (0.90) CNR2CNR1STING1GAA
SCHEMBL15515442 0.83 CNR2 (1.00) CNR2CNR1GAA
SCHEMBL15515950 0.81 CNR2 (1.00) CNR2CNR1CACNA1B
SCHEMBL15516390 0.79 CNR2 (1.00) CNR2CNR1ALDH1A1GAA
SCHEMBL17694501 0.78 CNR2 (0.73) CNR2CNR1
SCHEMBL17694499 0.78 CNR2 (0.63) CNR2STING1ALDH1A1
SCHEMBL15506129 0.77 CNR2 (0.66) CNR2STING1ALDH1A1
SCHEMBL15506434 0.75 CNR2 (0.82) CNR2CNR1CACNA1B

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-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 — — 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-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 CNR2 1/4885CNR1 2/4885CACNA1B 849/4885

“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.

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