SCHEMBL21168982

SCHEMBL21168982

COc1ccc(C(=O)OCCCC(=O)O)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
PDE4D Q08499 1/20 0.41
APP P05067 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL18675949 0.87 KMT2A (0.56) KMT2AMEN1FFAR4TDP1L3MBTL1
SCHEMBL27271383 0.85 TSHR (0.57) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL27774545 0.82 KMT2A (0.56) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4128743 0.82 PDE4B (0.51) PKMALDH1A1FFAR4MAPTTDP1
SCHEMBL4126956 0.81 PDE4D (0.50) PKMMAPTTDP1POLBLMNA
SCHEMBL18669049 0.79 LMNA (0.54) KMT2AALDH1A1MAPTTDP1GAA
SCHEMBL18675951 0.79 KMT2A (0.57) PKMKMT2AMEN1ALDH1A1FFAR4
SCHEMBL6613660 0.79 KMT2A (0.59) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL22705258 0.78 LMNA (0.42) PKMKMT2AMEN1ALDH1A1FFAR4
SCHEMBL4118586 0.77 HTT (0.53) PKMKMT2AMEN1ALDH1A1MAPT

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-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-07-18 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-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 PKM 1282/4885KMT2A 2813/4885MEN1 3993/4885

“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.