SCHEMBL17694504

SCHEMBL17694504

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

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.90
▸ CNR1 P21554 1/20 0.39
▸ ABCB11 O95342 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ STING1 Q86WV6 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL15515442 0.95 CNR2 (1.00) CNR2CNR1ABCB11CYP1A2CYP3A4
SCHEMBL15516390 0.90 CNR2 (1.00) CNR2CNR1GAA
SCHEMBL17694503 0.88 CNR2 (0.90) CNR2CNR1GAASTING1
SCHEMBL15506433 0.83 CNR2 (1.00) CNR2CNR1GAASTING1
SCHEMBL15515752 0.81 CNR2 (1.00) CNR2CNR1ABCB11CYP1A2CYP3A4
SCHEMBL15506435 0.79 CNR2 (1.00) CNR2CNR1GAA
SCHEMBL17694501 0.77 CNR2 (0.73) CNR2CNR1CYP1A2
SCHEMBL17694499 0.77 CNR2 (0.63) CNR2CYP1A2STING1L3MBTL1
SCHEMBL15506129 0.76 CNR2 (0.66) CNR2CYP1A2STING1L3MBTL1
SCHEMBL603802 0.74 CNR2 (0.62) CNR2GAAL3MBTL1

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 2/4885ABCB11 3991/4885

“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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