SCHEMBL15515752

SCHEMBL15515752

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 1.00
▸ CNR1 P21554 6/20 0.48
▸ ABCB11 O95342 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL15516390 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL23198601 0.87 CNR2 (0.79) CNR2CNR1CYP3A4
SCHEMBL15515950 0.87 CNR2 (1.00) CNR2CNR1
SCHEMBL15515442 0.83 CNR2 (1.00) CNR2CNR1ABCB11CYP1A2CYP3A4
SCHEMBL17694504 0.81 CNR2 (0.90) CNR2CNR1ABCB11CYP1A2CYP3A4
SCHEMBL15506434 0.79 CNR2 (0.82) CNR2CNR1
SCHEMBL15506435 0.78 CNR2 (1.00) CNR2CNR1
SCHEMBL17414505 0.76 CNR2 (0.78) CNR2CNR1
SCHEMBL15517365 0.75 CNR2 (1.00) CNR2CNR1
SCHEMBL3799616 0.74 CNR2 (0.59) CNR2CNR1ABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964956-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2024-04-23 — — US disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 — — US disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 — — US disclosed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 — — US disclosed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 — — US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 — — US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 — — US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 — — US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 — — US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 — — US disclosed
WO-2014039042-A1 NOVEL CANNABINERGIC COMPOUNDS AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2014-03-13 — — WO 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 (5 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-11964956-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 CNR2 1/4885CNR1 2/4885ABCB11 3812/4885
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 CNR2 1/4885CNR1 2/4885ABCB11 3991/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 CNR2 1/4885CNR1 2/4885ABCB11 3812/4885
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 CNR2 1/4885CNR1 2/4885ABCB11 3812/4885
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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