SCHEMBL1009895

SCHEMBL1009895

COc1ccc(COCCCCCCCCO)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
GBA1 P04062 1/20 0.51
UGCG Q16739 1/20 0.51
GBA2 Q9HCG7 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
APP P05067 7/20 0.47
CALM1 P0DP23 1/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CHRM3 P20309 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6551488 1.00 L3MBTL1 (0.65) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL27089915 1.00 L3MBTL1 (0.65) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL16614410 1.00 L3MBTL1 (0.65) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL9234752 0.98 L3MBTL1 (0.62) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL4483666 0.93 L3MBTL1 (0.59) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL29285378 0.90 L3MBTL1 (0.56) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL18682485 0.86 LTA4H (0.49) L3MBTL1TDP1APPHTTMEN1
SCHEMBL18682483 0.86 LTA4H (0.49) L3MBTL1TDP1APPHTTMEN1
SCHEMBL4741980 0.85 TDP1 (0.54) L3MBTL1TDP1CA1CA2APP
SCHEMBL1354132 0.85 L3MBTL1 (0.56) L3MBTL1TDP1GBA1UGCGGBA2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146262-A Bi-phosphatidyl amide compound containing multiple tertiary amino structures, composition and application thereof 北京大学 2024-06-07 CN disclosed
EP-2537854-B1 METHOD FOR PRODUCING 18F-LABELED COMPOUND AND HIGH MOLECULAR COMPOUND TO BE USED IN THE METHOD TOKYO INST TECH (JP) 2016-12-14 EP disclosed
EP-2537854-B1 METHOD FOR PRODUCING 18F-LABELED COMPOUND AND HIGH MOLECULAR COMPOUND TO BE USED IN THE METHOD TOKYO INST TECH (JP) 2016-12-14 EP disclosed
US-9073802-B2 Method for producing 18F-labeled compound and high molecular compound to be used in the method TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-07-07 US disclosed
US-9073802-B2 Method for producing 18F-labeled compound and high molecular compound to be used in the method TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-07-07 US disclosed
US-9073802-B2 Method for producing 18F-labeled compound and high molecular compound to be used in the method TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-07-07 US disclosed
EP-2280935-B1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8673946-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2013-01-31 US disclosed
EP-2537854-A1 METHODE FOR PRODUCING F-LABELLED COMPOUND AND HIGH MOLECULAR COMPOUND TO BE USED IN THE METHOD Tokyo Institute of Technology (JP) 2012-12-26 EP disclosed
EP-2537854-A1 METHODE FOR PRODUCING F-LABELLED COMPOUND AND HIGH MOLECULAR COMPOUND TO BE USED IN THE METHOD Tokyo Institute of Technology (JP) 2012-12-26 EP disclosed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US disclosed
WO-2011099480-A1 METHOD FOR PRODUCING 18F-LABELED COMPOUND AND HIGH MOLECULAR COMPOUND TO BE USED IN THE METHOD 国立大学法人東京工業大学 (JP) 2011-08-18 WO disclosed
EP-2280935-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132979-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 US disclosed
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-29 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 (4 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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 L3MBTL1 1452/4885TDP1 2013/4885GBA1 915/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 L3MBTL1 1676/4885TDP1 2520/4885GBA1 1705/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 L3MBTL1 1452/4885TDP1 2013/4885GBA1 915/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 L3MBTL1 1676/4885TDP1 2520/4885GBA1 1705/4885

“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.