SCHEMBL17414493

SCHEMBL17414493

CCCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 1.00
▸ CNR1 P21554 14/20 0.78
▸ GPR55 Q9Y2T6 4/20 0.53
▸ GPR18 Q14330 3/20 0.53
▸ STS P08842 1/20 0.45
▸ MAPT P10636 1/20 0.43

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
SCHEMBL29385309 1.00 CNR2 (1.00) CNR2CNR1GPR55GPR18STS
SCHEMBL31629276 1.00 CNR2 (1.00) CNR2CNR1GPR55GPR18STS
SCHEMBL3297145 1.00 CNR2 (1.00) CNR2CNR1GPR55GPR18STS
SCHEMBL15994871 0.91 CNR2 (0.84) CNR2CNR1GPR55GPR18MAPT
SCHEMBL15994870 0.88 CNR2 (0.78) CNR2CNR1GPR55GPR18STS
SCHEMBL29385133 0.88 CNR2 (1.00) CNR2CNR1GPR55GPR18
SCHEMBL29929142 0.88 CNR2 (1.00) CNR2CNR1GPR55GPR18
SCHEMBL3298491 0.88 CNR2 (1.00) CNR2CNR1GPR55GPR18
SCHEMBL5550044 0.87 CNR2 (0.82) CNR2CNR1GPR55GPR18
SCHEMBL15995383 0.86 CNR2 (0.75) CNR2CNR1GPR55GPR18MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 — — US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 — — US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 — — 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-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885GPR55 273/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885GPR55 273/4885

“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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