SCHEMBL566245

SCHEMBL566245

C=CCOCC(CO)OCCCCC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
ALDH1A1 P00352 1/20 0.51
USP2 O75604 1/20 0.42
LPAR1 Q92633 6/20 0.42
LPAR3 Q9UBY5 6/20 0.42
LPAR2 Q9HBW0 3/20 0.42
DNM1 Q05193 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
LPAR6 P43657 2/20 0.39
LPAR4 Q99677 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39

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
SCHEMBL2524076 1.00 CNR1 (0.51) CNR1CNR2ALDH1A1USP2LPAR1
Pyrophosphoric Acid SCHEMBL8080994 0.89 LPAR3 (0.50) CNR1CNR2ALDH1A1LPAR1LPAR3
SCHEMBL7784745 0.87 USP2 (0.50) CNR1CNR2ALDH1A1USP2LPAR1
SCHEMBL4565926 0.86 LPAR1 (0.51) CNR1CNR2ALDH1A1USP2LPAR1
SCHEMBL10564674 0.85 USP2 (0.53) CNR1CNR2ALDH1A1USP2LPAR1
SCHEMBL28854928 0.85 USP2 (0.53) CNR1CNR2ALDH1A1USP2LPAR1
SCHEMBL24470522 0.85 LPAR1 (0.54) USP2LPAR1LPAR3LPAR2DNM1
SCHEMBL11306605 0.85 LPAR1 (0.54) USP2LPAR1LPAR3LPAR2DNM1
SCHEMBL11299369 0.85 LPAR1 (0.54) USP2LPAR1LPAR3LPAR2DNM1
SCHEMBL102699 0.85 LPAR1 (0.54) USP2LPAR1LPAR3LPAR2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463092-A Viricides VESTAR, INC. (US) 1995-10-31 US claimed
EP-2277849-B1 PROCESS FOR THE PREPARATION OF 1-ALKYL GLYCEROL ETHERS SCHUELKE & MAYR GMBH (DE) 2019-08-07 EP disclosed
US-9334235-B2 Plasmalogen compounds, pharmaceutical compositions containing the same and methods for treating diseases of the aging PHENOMENOME DISCOVERIES INC. (CA) 2016-05-10 US disclosed
US-8877983-B2 Process for the preparation of 1-alkyl glycerol ethers L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2014-11-04 US disclosed
US-20130116312-A2 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2013-05-09 US disclosed
US-20120035250-A1 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2012-02-09 US disclosed
EP-2277849-A1 Process for the preparation of 1-alkyl glycerol ethers L'AIR LIQUIDE, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2011-01-26 EP disclosed
US-20110009676-A1 PROCESS FOR THE PREPARATION OF 1-ALKYL GLYCEROL ETHERS L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGE (FR) 2011-01-13 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-20120035250-A1 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHOSPHO1, SGMS2, MBOAT1 CNR1 1522/4885CNR2 899/4885ALDH1A1 1960/4885
US-20110009676-A1 PROCESS FOR THE PREPARATION OF 1-ALKYL GLYCEROL ETHERS GK, UGCG, DEGS1 CNR1 491/4885CNR2 559/4885ALDH1A1 546/4885
US-20130116312-A2 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHOSPHO1, SGMS2, MBOAT1 CNR1 1522/4885CNR2 899/4885ALDH1A1 1960/4885

“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.