SCHEMBL8445944

SCHEMBL8445944

CC(C)(C)C(=O)OCCCBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRKCA P17252 2/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
BTN3A1 O00481 3/20 0.33
FAAH O00519 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.31
CNR2 P34972 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ELANE P08246 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL2551578 0.93 POLB (0.40) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL15917822 0.91 POLB (0.39) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL13738132 0.91 POLB (0.39) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL14498443 0.91 POLB (0.39) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL1114545 0.91 POLB (0.39) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL2257499 0.86 POLB (0.43) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL7989588 0.85 POLB (0.46) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL27819169 0.85 POLB (0.46) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL29049106 0.83 POLB (0.44) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL17694509 0.83 ALDH1A1 (0.31) ALDH1A1FAAHCNR2

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-20240018302-A1 BIORESORBABLE, STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2024-01-18 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
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP 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 (1 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-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.