SCHEMBL9681053

SCHEMBL9681053

CCC(O)CCOC(=O)CC(C)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
BLM P54132 1/20 0.31
NAAA Q02083 1/20 0.31
CYP2C19 P33261 1/20 0.31
DGKA P23743 1/20 0.31
RECQL P46063 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL29220673 0.87 MAPT (0.36) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL5907666 0.85 ALOX15 (0.36) CYP19A1MAPTTSHRADRA2AADRA1A
SCHEMBL195816 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL22205226 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL13147621 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL19899224 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL22205224 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL21974553 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL431832 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2
SCHEMBL16053327 0.84 CYP19A1 (0.40) CYP19A1MAPTADRA2AADRA1ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228422-A1 PROCESS FOR PREPARING OXOBUTANOL ESTERS OF POLYMERIC CARBOXYLIC ACIDS KETOLIPIX THERAPEUTICS GMBH (DE) 2024-07-11 US disclosed
US-20240228422-A1 PROCESS FOR PREPARING OXOBUTANOL ESTERS OF POLYMERIC CARBOXYLIC ACIDS KETOLIPIX THERAPEUTICS GMBH (DE) 2024-07-11 US disclosed
US-20230303478-A1 PROCESS FOR PREPARING CARBOXYLIC ACID ESTERS OF HYDROXYBUTANOATES KETOLIPIX THERAPEUTICS GMBH (DE) 2023-09-28 US disclosed
US-20230257337-A1 METHOD FOR PRODUCING POLYGYLCEROL ESTERS OF POLYCARBOXYLIC ACIDS ESTERIFIED WITH OXOBUTANOL KETOLIPIX THERAPEUTICS GMBH (DE) 2023-08-17 US disclosed
US-20230257337-A1 METHOD FOR PRODUCING POLYGYLCEROL ESTERS OF POLYCARBOXYLIC ACIDS ESTERIFIED WITH OXOBUTANOL KETOLIPIX THERAPEUTICS GMBH (DE) 2023-08-17 US disclosed
WO-2022012767-A1 METHOD FOR PRODUCING POLYGLYCEROL ESTERS OF POLYCARBOXYLIC ACIDS ESTERIFIED WITH OXOBUTANOL IOI OLEO GMBH (DE) 2022-01-20 WO disclosed
WO-2022012765-A1 PROCESS FOR PREPARING CARBOXYLIC ACID ESTERS OF HYDROXYBUTANOATES IOI OLEO GMBH (DE) 2022-01-20 WO disclosed
WO-2022012766-A1 PROCESS FOR PREPARING OXOBUTANOL ESTERS OF POLYMERIC CARBOXYLIC ACIDS IOI OLEO GMBH (DE) 2022-01-20 WO disclosed
US-5126373-A Ester or diester of 1,3-butanediol or 1,3-pentanediol; side effect reduction BRUNENGRABER HENRI (US) 1992-06-30 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 (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-20240228422-A1 PROCESS FOR PREPARING OXOBUTANOL ESTERS OF POLYMERIC CARBOXYLIC ACIDS C9, HAO2, HSD17B12 CYP19A1 1222/4885MAPT 4124/4885TSHR 4392/4885
US-20230303478-A1 PROCESS FOR PREPARING CARBOXYLIC ACID ESTERS OF HYDROXYBUTANOATES HAO2, HSD17B12, HCAR3 CYP19A1 854/4885MAPT 4418/4885TSHR 3810/4885
US-20230257337-A1 METHOD FOR PRODUCING POLYGYLCEROL ESTERS OF POLYCARBOXYLIC ACIDS ESTERIFIED WITH OXOBUTANOL ACACB, HSD17B12, MCCC2 CYP19A1 1559/4885MAPT 3704/4885TSHR 3845/4885

“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.