SCHEMBL15917822

SCHEMBL15917822

CC(C)(C)C(=O)OCCCCCBr

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
PRKCA P17252 2/20 0.37
NAAA Q02083 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 4/20 0.33
CNR2 P34972 2/20 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
SCHEMBL13738132 1.00 POLB (0.39) POLBGAANPSR1FAAHPRKCA
SCHEMBL14498443 1.00 POLB (0.39) POLBGAANPSR1FAAHPRKCA
SCHEMBL1114545 1.00 POLB (0.39) POLBGAANPSR1FAAHPRKCA
SCHEMBL2551578 0.98 POLB (0.40) POLBGAANPSR1FAAHPRKCA
SCHEMBL8445944 0.91 POLB (0.41) POLBGAANPSR1FAAHPRKCA
SCHEMBL29049106 0.89 POLB (0.44) POLBGAANPSR1PRKCANAAA
SCHEMBL27819169 0.87 POLB (0.46) POLBGAANPSR1PRKCANAAA
SCHEMBL13040985 0.86 FAAH (0.37) POLBGAANPSR1FAAHNAAA
SCHEMBL17694507 0.84 FAAH (0.36) FAAHNAAATSHRALDH1A1CYP3A4
SCHEMBL15625921 0.82 CYP4F2 (0.40) FAAHNAAACYP4F2CYP4A11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9051531-B2 Cycloalkane aldehydes, method for preparing same, and use thereof in the perfume industry V.MANE FILS (FR) 2015-06-09 US disclosed
US-20140221503-A1 NOVEL CYCLOALKANE ALDEHYDES, METHOD FOR PREPARING SAME, AND USE THEREOF IN THE PERFUME INDUSTRY V. MANE FILS (FR) 2014-08-07 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 (3 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-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 POLB 3864/4885GAA 985/4885NPSR1 337/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 POLB 3968/4885GAA 796/4885NPSR1 377/4885
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 POLB 3864/4885GAA 985/4885NPSR1 337/4885

“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.