SCHEMBL2506515

SCHEMBL2506515

C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)/C=C/C(=O)O.[Ca+2]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 4/20 0.50
MAPK1 P28482 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GMNN O75496 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HSP90AA1 P07900 2/20 0.49
BLM P54132 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
GLA P06280 1/20 0.48
PMP22 Q01453 1/20 0.48
HCAR2 Q8TDS4 4/20 0.46
HRH1 P35367 1/20 0.42

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
Zinc Ion SCHEMBL7626187 0.97 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL2510689 0.97 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27537025 0.93 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27689103 0.92 LMNA (0.64) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27445764 0.92 LMNA (0.64) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL609998 0.86 MEN1 (0.61) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL3446901 0.86 MEN1 (0.61) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL30274683 0.86 MEN1 (0.61) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL506775 0.86 MEN1 (0.61) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL3446899 0.86 MEN1 (0.61) LMNASMN1; SMN2CYP1A2MAPK1MAPT

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
US-20110245537-A1 L-carnitine calcium fumarate, preparation method and application for the same Liaoning Konepnutra Co., Ltd 2011-10-06 US claimed
EP-2125700-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME Shenyang Koncepnutra Corporation, Limited (CN) 2009-12-02 EP claimed
US-20090281183-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2009-11-12 US claimed
WO-2008080287-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2008-07-10 WO claimed
US-10583111-B2 Method for preventing or treating diseases associated with the inhibition of EGFR ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2020-03-10 US disclosed
US-20190282536-A1 METHOD FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH THE INHIBITION OF EGFR SHANGHAI JIAO TONG UNIVERSITY (CN) 2019-09-19 US disclosed
JP-5290975-B2 2013-09-18 JP disclosed
US-20110245537-A1 L-carnitine calcium fumarate, preparation method and application for the same Liaoning Konepnutra Co., Ltd 2011-10-06 US disclosed
US-20110245537-A1 L-carnitine calcium fumarate, preparation method and application for the same Liaoning Konepnutra Co., Ltd 2011-10-06 US disclosed
US-20110245537-A1 L-carnitine calcium fumarate, preparation method and application for the same Liaoning Konepnutra Co., Ltd 2011-10-06 US disclosed
CN-101209975-B Levulorotation carnitine calcium fumarate and its preparing method and use SHENYANG KONCEPNUTRA CO LTD 2010-12-01 CN disclosed
EP-2125700-A4 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORP LTD (CN) 2009-12-23 EP disclosed
US-20090281183-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2009-11-12 US disclosed
US-7572832-B2 Non-hygroscopic L-carnitine salts BIOLINK LIFE SCIENCES, INC. (US) 2009-08-11 US disclosed
US-20080234371-A1 Non-hygroscopic L-carnitine salts BIOLINK LIFE SCIENCES, INC. 2008-09-25 US disclosed
WO-2008115915-A2 NON-HYGROSCOPIC L-CARNITINE SALTS BIOLINK LIFE SCIENCES, INC. (US) 2008-09-25 WO disclosed
WO-2008080287-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2008-07-10 WO disclosed
WO-2008080287-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2008-07-10 WO disclosed
WO-2008080287-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SHENYANG KONCEPNUTRA CORPORATION, LIMITED (CN) 2008-07-10 WO disclosed
CN-101209975-A Levulorotation carnitine calcium fumarate and its preparing method and use SHENYANG DONGYU FINE CHEMICAL (CN) 2008-07-02 CN 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 (5 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-20190282536-A1 METHOD FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH THE INHIBITION OF EGFR EGFR, ERBB2, KIT LMNA 3229/4885SMN1; SMN2 4537/4885CYP1A2 3010/4885
US-20090281183-A1 L-CARNITINE CALCIUM FUMARATE, PREPARATION METHOD AND APPLICATION FOR THE SAME SLC25A20, FH, CA2 LMNA 679/4885SMN1; SMN2 685/4885CYP1A2 3035/4885
US-20110245537-A1 L-carnitine calcium fumarate, preparation method and application for the same SLC25A20, FH, CA2 LMNA 681/4885SMN1; SMN2 691/4885CYP1A2 3057/4885
US-20080234371-A1 Non-hygroscopic L-carnitine salts CRAT, SLC25A20, CPT1B LMNA 420/4885SMN1; SMN2 998/4885CYP1A2 2226/4885
US-10583111-B2 Method for preventing or treating diseases associated with the inhibition of EGFR EGFR, ERBB2, KIT LMNA 3229/4885SMN1; SMN2 4537/4885CYP1A2 3010/4885

“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.