SCHEMBL1359407

SCHEMBL1359407

C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCC(=O)C(=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.64
▸ MEN1 O00255 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ MAPK1 P28482 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ GMNN O75496 3/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.62
▸ TP53 P04637 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ HSP90AA1 P07900 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ NR1H4 Q96RI1 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ HIF1A Q16665 2/20 0.62
▸ GLA P06280 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CYP2C19 P33261 2/20 0.54
▸ RECQL P46063 1/20 0.54

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
SCHEMBL1427359 1.00 CYP1A2 (0.64) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL2517754 0.85 CYP1A2 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22116167 0.83 CYP1A2 (0.82) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL5421345 0.83 MEN1 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL5421346 0.83 MEN1 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL10491645 0.83 MAPT (0.67) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22057079 0.83 CYP1A2 (0.66) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL26640789 0.82 CYP1A2 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
Butyryl-Carnitine SCHEMBL12137158 0.82 CYP1A2 (0.79) CYP1A2MEN1KMT2AMAPK1LMNA
Butyryl-Carnitine SCHEMBL12283483 0.82 CYP1A2 (0.79) CYP1A2MEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728037-B2 Alpha-ketoglutarates of active ingredients and compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-06-01 — — US claimed
EP-1409449-B1 ALPHA-KETOGLUTARATES OF ACTIVE INGREDIENTS AND COMPOSITIONS CONTAINING SAME SIGMA TAU IND FARMACEUTI (IT) 2008-01-09 — — EP claimed
US-20060241181-A1 Alpha-ketoglutarates of active ingredients and compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 2006-10-26 — — US claimed
US-20040192775-A1 Alpha-ketoglutarates of active ingredients and compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-30 — — US claimed
EP-1409449-A1 ALPHA-KETOGLUTARATES OF ACTIVE INGREDIENTS AND COMPOSITIONS CONTAINING SAME Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-21 — — EP claimed
WO-2003010131-A1 ALPHA-KETOGLUTARATES OF ACTIVE INGREDIENTS AND COMPOSITIONS CONTAINING SAME SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-06 — — WO claimed
US-8067468-B2 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same SCIAN LABORATORIES, LLC 2011-11-29 — — US disclosed
US-20100317890-A1 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same SCIAN LABORATORIES, LLC (US) 2010-12-16 — — US disclosed
CN-101903020-A L-carnitine phytate and alkanoyl L-carnitine phytate and preparation thereof SCIAN LAB LLC 2010-12-01 — — CN disclosed
US-7728037-B2 Alpha-ketoglutarates of active ingredients and compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-06-01 — — US disclosed
EP-1409449-B1 ALPHA-KETOGLUTARATES OF ACTIVE INGREDIENTS AND COMPOSITIONS CONTAINING SAME SIGMA TAU IND FARMACEUTI (IT) 2008-01-09 — — EP disclosed
US-20060241181-A1 Alpha-ketoglutarates of active ingredients and compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 2006-10-26 — — US disclosed
US-20040192775-A1 Alpha-ketoglutarates of active ingredients and compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-30 — — US disclosed
EP-1409449-A1 ALPHA-KETOGLUTARATES OF ACTIVE INGREDIENTS AND COMPOSITIONS CONTAINING SAME Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-21 — — EP disclosed
WO-2003010131-A1 ALPHA-KETOGLUTARATES OF ACTIVE INGREDIENTS AND COMPOSITIONS CONTAINING SAME SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-06 — — 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-20100317890-A1 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same CPT1A, CPT1B, SLC25A20 CYP1A2 2417/4885MEN1 330/4885KMT2A 1438/4885
US-20040192775-A1 Alpha-ketoglutarates of active ingredients and compositions containing same GCDH, SLC25A20, GLS CYP1A2 2514/4885MEN1 1922/4885KMT2A 454/4885
US-20060241181-A1 Alpha-ketoglutarates of active ingredients and compositions containing same GCDH, SLC25A20, GLS CYP1A2 2514/4885MEN1 1922/4885KMT2A 454/4885

“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.

Send feedback