SCHEMBL15994871

SCHEMBL15994871

COc1ccc2c(=O)oc3cc(C(C)(C)CCCCCCBr)cc(O)c3c2c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.84
▸ CNR1 P21554 9/20 0.64
▸ GPR55 Q9Y2T6 4/20 0.43
▸ GPR18 Q14330 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NQO1 P15559 2/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ MAOA P21397 1/20 0.38

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 0.91 CNR2 (1.00) CNR2CNR1GPR55GPR18MAPT
SCHEMBL31629276 0.91 CNR2 (1.00) CNR2CNR1GPR55GPR18MAPT
SCHEMBL3297145 0.91 CNR2 (1.00) CNR2CNR1GPR55GPR18MAPT
SCHEMBL17414493 0.91 CNR2 (1.00) CNR2CNR1GPR55GPR18MAPT
SCHEMBL15995255 0.85 CNR2 (0.75) CNR2CNR1GPR55GPR18MAPT
SCHEMBL15995383 0.85 CNR2 (0.75) CNR2CNR1GPR55GPR18MAPT
SCHEMBL15995295 0.84 CNR2 (0.74) CNR2CNR1GPR55GPR18MAPT
SCHEMBL15994914 0.83 CNR2 (0.72) CNR2CNR1GPR55GPR18MAPT
SCHEMBL15994727 0.82 CNR2 (0.60) CNR2CNR1MAPTKDM4EALDH1A1
SCHEMBL15995116 0.81 CNR2 (0.69) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 — — US disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 — — US disclosed
US-10221164-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2019-03-05 — — US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 — — US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 — — US disclosed
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-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 — — 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
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
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
WO-2014134127-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2014-09-04 — — WO disclosed
WO-2014134127-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2014-09-04 — — 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-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885GPR55 273/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885GPR55 273/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885GPR55 273/4885
US-20190225596-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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