SCHEMBL3374615

SCHEMBL3374615

CCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)[O-])C(=O)[O-].[Na+]

nearest known ligand 0.45

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 12)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.45
CA1 known ✓ P00915 3/20 0.42
GPR84 Q9NQS5 3/20 0.42
NFKB1 P19838 1/20 0.40
ACE2 Q9BYF1 1/20 0.34
FAAH O00519 5/20 0.33
CES1 P23141 4/20 0.33
CES2 O00748 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7752126 0.89 CA2 (0.41) CA2CA1GPR84ACE2
SCHEMBL7747690 0.89 CA2 (0.41) CA2CA1GPR84ACE2
SCHEMBL97487 0.89 CA2 (0.41) CA2CA1GPR84ACE2
SCHEMBL98813 0.89 CA2 (0.41) CA2CA1GPR84ACE2
SCHEMBL7751708 0.82 FFAR1 (0.42) FAAHCYP1A2KMT2AHSD17B10
SCHEMBL1007055 0.81 FFAR4 (0.42) CA2CA1GPR84MEN1KMT2A
SCHEMBL8692682 0.80 CA2 (0.47) CA2CA1GPR84NFKB1ACE2
SCHEMBL99789 0.79 CA2 (0.38) CA2CA1GPR84NFKB1ACE2
SCHEMBL7885777 0.79 FFAR4 (0.47) GPR84MEN1KMT2AHSD17B10
SCHEMBL7752153 0.78 KDM4C (0.34) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703890-B1 PEARLIZER CONCENTRATE AND ITS USE IN PERSONAL CARE COMPOSITIONS RHODIA (US) 2010-11-17 EP disclosed
US-7578995-B2 Pearlizer concentrate and its use in personal care compositions RHODIA INC. (US) 2009-08-25 US disclosed
US-20080319090-A1 Pearlizer concentrate and its use in personal care compositions RHODIA INC. (US) 2008-12-25 US disclosed
EP-1703890-A1 PEARLIZER CONCENTRATE AND ITS USE IN PERSONAL CARE COMPOSITIONS Rhodia Inc. (US) 2006-09-27 EP disclosed
WO-2005070375-A1 PEARLIZER CONCENTRATE AND ITS USE IN PERSONAL CARE COMPOSITIONS RHODIA INC. (US) 2005-08-04 WO disclosed
US-20050158270-A1 Pearlizer concentrate and its use in personal care compositions RHODIA INC. 2005-07-21 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 (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-20080319090-A1 Pearlizer concentrate and its use in personal care compositions CUTA, PHOSPHO1, PEX14 CA2 2076/4885CA1 4034/4885GPR84 2535/4885
US-20050158270-A1 Pearlizer concentrate and its use in personal care compositions CUTA, PHOSPHO1, PEX14 CA2 2076/4885CA1 4034/4885GPR84 2535/4885

“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.