SCHEMBL22705258

SCHEMBL22705258

COc1ccc(C(=O)OCCCC(=O)O)c(OCc2ccc(C(=O)OCCCC(=O)O)cc2C(F)(F)F)c1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ESRRA P11474 5/20 0.42
ALDH1A1 P00352 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 2/20 0.38
FFAR2 O15552 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RXRA P19793 2/20 0.37
NR1H2 P55055 2/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL21168982 0.78 PKM (0.53) LMNAMAPTALDH1A1FFAR4GAA
SCHEMBL18675949 0.70 KMT2A (0.56) LMNAFFAR4MEN1KMT2A
SCHEMBL18675989 0.68 SCN1A (0.66) LMNAHDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL18676033 0.68 KMT2A (0.42) LMNAMAPTFFAR4NPSR1MEN1
SCHEMBL18668822 0.67 HDAC6 (0.58) MAPTHDAC6GAAMEN1KMT2A
SCHEMBL22225770 0.67 MRGPRX4 (0.47) LMNAFFAR4FFAR1FFAR2MEN1
SCHEMBL27271383 0.66 TSHR (0.57) LMNAMAPTALDH1A1GAANPSR1
SCHEMBL14776123 0.65 HSD17B2 (0.60) LMNAMAPTALDH1A1GAAMEN1
SCHEMBL4120081 0.64 AOC3 (0.51) MAPTALDH1A1FFAR4GAAMEN1
SCHEMBL18676030 0.64 TBXA2R (0.56) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 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 (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-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 LMNA 2870/4885MAPT 2628/4885ESRRA 2382/4885

“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.