SCHEMBL17414534

SCHEMBL17414534

COc1cc(C(C)(C)C(=O)OCCCOc2ccccc2)cc(CO)c1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.37
▸ CNR2 P34972 4/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ APP P05067 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL15994954 0.92 PPARA (0.41) PPARACNR2KMT2ABRD4PPARG
SCHEMBL17414531 0.86 ALDH1A1 (0.40) PPARACNR2KMT2ABRD4PPARG
SCHEMBL15995308 0.81 ALDH1A1 (0.44) PPARACNR2KMT2ABRD4PPARG
SCHEMBL17414522 0.81 CNR2 (0.39) PPARACNR2
SCHEMBL15994561 0.78 RAB9A (0.49) PPARAKMT2APPARGTDP1MAPT
SCHEMBL17414532 0.77 NPC1 (0.41) PPARAKMT2APPARGPPARDTDP1
SCHEMBL15994876 0.71 CNR2 (0.42) PPARACNR2
SCHEMBL14497815 0.68 PPARA (0.56) PPARATDP1MAPTL3MBTL1
SCHEMBL15994555 0.66 NPC1 (0.48) PPARAKMT2APPARGTDP1MAPT
SCHEMBL17414523 0.65 CNR2 (0.40) PPARACNR2ALDH1A1

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 PPARA 358/4885CNR2 1/4885KMT2A 4178/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 PPARA 358/4885CNR2 1/4885KMT2A 4178/4885

“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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