SCHEMBL21885801

SCHEMBL21885801

N#Cc1cccc(COCCCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.61
FFAR4 Q5NUL3 3/20 0.61
MAOB P27338 1/20 0.48
MRGPRX4 Q96LA9 3/20 0.45
FOLH1 Q04609 1/20 0.45
KCNH2 Q12809 1/20 0.45
PTGFR P43088 1/20 0.44
LMNA P02545 1/20 0.43
ALKBH1 Q13686 1/20 0.42
GSK3B P49841 1/20 0.42
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42

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
SCHEMBL28238487 0.84 FFAR1 (0.49) FFAR1FFAR4MAOBMRGPRX4FOLH1
SCHEMBL3723396 0.82 FFAR1 (0.59) FFAR1FFAR4MAOBMRGPRX4FOLH1
SCHEMBL20551473 0.82 MRGPRX4 (0.53) FFAR1FFAR4MAOBMRGPRX4KCNH2
SCHEMBL20378818 0.82 GSK3B (0.48) FFAR1FFAR4MAOBMRGPRX4FOLH1
SCHEMBL4840290 0.81 FFAR1 (0.60) FFAR1FFAR4FOLH1PTGFRLMNA
SCHEMBL2774422 0.79 FFAR1 (0.48) FFAR1FFAR4MAOBMRGPRX4KCNH2
SCHEMBL1246091 0.79 FFAR1 (0.59) FFAR1FFAR4FOLH1PTGFRLMNA
SCHEMBL291194 0.78 SMN1; SMN2 (0.57) FFAR1FFAR4FOLH1
SCHEMBL3166793 0.78 FFAR4 (0.53) FFAR1FFAR4MAOB
SCHEMBL3898501 0.78 FFAR1 (0.54) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2020-09-15 US disclosed
US-10640451-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 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-10640451-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 FFAR1 184/4885FFAR4 98/4885MAOB 83/4885
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 FFAR1 184/4885FFAR4 98/4885MAOB 83/4885

“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.