SCHEMBL18613656

SCHEMBL18613656

O=C(O)CCC(=O)Oc1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
LTA4H P09960 1/20 0.46
FFAR1 O14842 7/20 0.43
FFAR4 Q5NUL3 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
F2 P00734 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL18613655 0.92 KMT2A (0.61) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL28151715 0.88 KMT2A (0.51) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL27367054 0.84 KMT2A (0.52) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL8387984 0.81 BCL9 (0.58) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL28770121 0.81 KMT2A (0.57) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL2058361 0.80 ALDH1A1 (0.55) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL8207857 0.79 KMT2A (0.55) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL19690545 0.79 KMT2A (0.55) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL19690708 0.79 HTT (0.66) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL11579236 0.79 KMT2A (0.60) KMT2ALMNAALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050573-A1 LYMPH DIRECTING PRODRUGS MONASH UNIVERSITY (AU) 2024-02-15 US disclosed
US-11738087-B2 Lymph directing prodrugs MONASH UNIVERSITY (AU) 2023-08-29 US disclosed
US-20180243425-A1 LYMPH DIRECTING PRODRUGS MONASH UNIVERSITY (AU) 2018-08-30 US disclosed
EP-3347340-A1 LYMPH DIRECTING PRODRUGS Monash University (AU) 2018-07-18 EP disclosed
WO-2017041139-A1 LYMPH DIRECTING PRODRUGS MONASH UNIVERSITY (AU) 2017-03-16 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 (3 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-20240050573-A1 LYMPH DIRECTING PRODRUGS LTA, ABCB11, LYN KMT2A 4086/4885LMNA 3766/4885ALDH1A1 1056/4885
US-20180243425-A1 LYMPH DIRECTING PRODRUGS MLNR, ABCB11, MLN KMT2A 3956/4885LMNA 3302/4885ALDH1A1 1385/4885
US-11738087-B2 Lymph directing prodrugs MLNR, ABCB11, MLN KMT2A 3956/4885LMNA 3302/4885ALDH1A1 1385/4885

“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.