SCHEMBL4617845

SCHEMBL4617845

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

nearest known ligand 0.48

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 7)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.37
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1938661 0.92 ALDH1A1 (0.47) ALDH1A1CA4KDM4ELMNAMAPT
SCHEMBL8842951 0.92 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL28065364 0.92 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMAPTALOX15
Citric Acid SCHEMBL7055559 0.91 CA4 (0.49) ALDH1A1CA4
SCHEMBL149815 0.90 ALDH1A1 (0.48) ALDH1A1CA4KDM4ELMNAMAPT
SCHEMBL28168350 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTALOX15
Water SCHEMBL28198147 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL23054 0.90 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMAPTALOX15
Citric Acid SCHEMBL12481970 0.90 CA4 (0.47) ALDH1A1CA4
SCHEMBL7121071 0.89 CA4 (0.53) ALDH1A1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125399-B2 Method of employing enhanced penetration of wood preservatives to protect wood and a related solution KOP-COAT, INC. (US) 2015-09-08 US disclosed
US-9125398-B2 Method of employing enhanced penetration of wood preservatives to protect wood and a related solution KOP-COAT, INC. (US) 2015-09-08 US disclosed
US-20140039016-A1 METHOD OF EMPLOYING ENHANCED PENETRATION OF WOOD PRESERVATIVES TO PROTECT WOOD AND A RELATED SOLUTION KOP-COAT, INC. 2014-02-06 US disclosed
US-20120258248-A1 METHOD OF EMPLOYING ENHANCED PENETRATION OF WOOD PRESERVATIVES TO PROTECT WOOD AND A RELATED SOLUTION KOP-COAT, INC. 2012-10-11 US disclosed
EP-1880732-A1 Parathyroid hormone formulation NPS Allelix Corp. (CA) 2008-01-23 EP disclosed
EP-0735896-B1 PARATHYROID HORMONE FORMULATION NPS ALLELIX CORP (CA) 2007-10-03 EP disclosed
US-5653917-A Rust-removing alkali metal hydrogen citrate composition SINGERMAN GARY M (US) 1997-08-05 US disclosed
EP-0735896-A1 PARATHYROID HORMONE FORMULATION Astra Aktiebolag (SE) 1996-10-09 EP disclosed
US-5496801-A Parathyroid hormone formulation ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-03-05 US disclosed
WO-1995017207-A1 PARATHYROID HORMONE FORMULATION ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-06-29 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 (1 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-20140039016-A1 METHOD OF EMPLOYING ENHANCED PENETRATION OF WOOD PRESERVATIVES TO PROTECT WOOD AND A RELATED SOLUTION AOC3, CMA1, AGER CA4 228/4885ALDH1A1 777/4885KDM4E 2232/4885

“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.