SCHEMBL22468682

SCHEMBL22468682

O=C(O)COCCCOCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CES2 O00748 2/20 0.41
CYP2C19 P33261 1/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.38
CAMK2A Q9UQM7 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACHE P22303 6/20 0.34

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
SCHEMBL7760402 0.96 GPR84 (0.48) GAAGPR84FFAR1FFAR4CES2
SCHEMBL10387228 0.96 GPR84 (0.48) GAAGPR84FFAR1FFAR4CES2
SCHEMBL7764641 0.96 GPR84 (0.48) GAAGPR84FFAR1FFAR4CES2
SCHEMBL11745437 0.93 GPR84 (0.44) GAAGPR84FFAR1FFAR4CES2
SCHEMBL20535086 0.91 CES2 (0.46) GAACES2CYP2C19CYP4F2CYP4A11
SCHEMBL19875980 0.89 MEN1 (0.50) GAAGPR84FFAR1FFAR4CES2
SCHEMBL22922164 0.89 CES2 (0.48) GAACES2CYP2C19CYP4F2CYP4A11
SCHEMBL18530373 0.86 TSHR (0.48) GAAGPR84FFAR1FFAR4CES2
SCHEMBL16346733 0.86 CAMK2A (0.40) GAAGPR84FFAR1FFAR4CES2
SCHEMBL12014213 0.86 CAMK2A (0.40) GAAGPR84FFAR1FFAR4CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164175-A2 PROTACS OF MALT1 TEGID THERAPEUTICS, INC. (US) 2023-08-31 WO disclosed
US-20230078913-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS ESSA PHARMA INC. (CA) 2023-03-16 US disclosed
EP-3946292-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS Essa Pharma, Inc. (CA) 2022-02-09 EP disclosed
WO-2020198711-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS ESSA PHARMA, INC. (CA) 2020-10-01 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 (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-20230078913-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS AR, PSMA1, SHBG GAA 1820/4885GPR84 211/4885FFAR1 672/4885

“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.