SCHEMBL18554698

SCHEMBL18554698

C=C(C)C(=O)OCCOCCOCCOCCOP(=O)([O-])OCC(COCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC.[Na+]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
LPAR1 Q92633 4/20 0.52
LPAR3 Q9UBY5 4/20 0.52
ADRA1D P25100 1/20 0.52
PTAFR P25105 1/20 0.52
HTR1D P28221 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCH P24723 1/20 0.48
AKT1 P31749 1/20 0.48
PRKCI P41743 1/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCZ Q05513 1/20 0.48
PRKCD Q05655 1/20 0.48

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
SCHEMBL9067446 0.83 ADRA1D (0.62) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL19330292 0.79 TSHR (0.52) LPAR1LPAR3HTR2CPRKCAPRKCE
SCHEMBL18140264 0.79 THRB (0.56) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL18139066 0.79 THRB (0.56) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28240312 0.78 TSHR (0.69) LPAR1LPAR3ADRA1DPTAFRHTR1D
SCHEMBL9067694 0.78 MAPT (0.70) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL7736970 0.78 TSHR (0.62) LPAR1LPAR3TSHRLPAR2
SCHEMBL14990967 0.77 TSHR (0.62) LPAR1LPAR3TSHRLPAR2
SCHEMBL28239295 0.77 TSHR (0.66) LPAR1LPAR3ADRA1DPTAFRHTR1D
SCHEMBL10659722 0.77 TSHR (0.51) LPAR1LPAR3ADRA1DPTAFRHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307692-A1 NANOLIPOPROTEIN PARTICLES AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR IMPROVED DRUG LOADING U.S. DEPARTMENT OF ENERGY 2019-10-10 US disclosed
US-20190142752-A1 STABLE NANOLIPOPROTEIN PARTICLES AND RELATED COMPOSITIONS METHODS AND SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 US disclosed
EP-3426304-A1 NANOLIPOPROTEIN PARTICLES AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR IMPROVED DRUG LOADING Lawrence Livermore National Security, LLC (US) 2019-01-16 EP disclosed
WO-2017155837-A1 NANOLIPOPROTEIN PARTICLES AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR IMPROVED DRUG LOADING LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2017-09-14 WO disclosed
WO-2017035326-A1 STABLE NANOLIPOPROTEIN PARTICLES AND RELATED COMPOSITIONS METHODS AND SYSTEMS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2017-03-02 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 (2 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-20190142752-A1 STABLE NANOLIPOPROTEIN PARTICLES AND RELATED COMPOSITIONS METHODS AND SYSTEMS HDLBP, CETP, PLIN3 LPAR1 532/4885LPAR3 506/4885ADRA1D 4818/4885
US-20190307692-A1 NANOLIPOPROTEIN PARTICLES AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR IMPROVED DRUG LOADING CETP, HDLBP, PLIN3 LPAR1 215/4885LPAR3 182/4885ADRA1D 4323/4885

“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.