SCHEMBL5886409

SCHEMBL5886409

O=C([O-])C1(C(=O)[O-])CCC1(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.38

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 9)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.38
CA1 known ✓ P00915 1/20 0.35
FAHD1 Q6P587 1/20 0.38
MEN1 O00255 1/20 0.32
LDHA P00338 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.30
CASP1 P29466 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
Potassium Ion SCHEMBL16910245 0.93 CA4 (0.38) CA4FAHD1MEN1LDHABLM
SCHEMBL5886549 0.87 CA4 (0.33) CA4FAHD1CA1
SCHEMBL11580119 0.84 CA4 (0.32) CA4FAHD1CA1
Lithium Ion SCHEMBL5016617 0.80
SCHEMBL11485145 0.79 CA4 (0.38) CA4FAHD1CA1MEN1LDHA
SCHEMBL10918913 0.76 CA4 (0.30) CA4FAHD1
SCHEMBL4312696 0.74
SCHEMBL2442258 0.74
SCHEMBL11058756 0.69 CA4 (0.30) CA4FAHD1
SCHEMBL9309197 0.69 CA4 (0.35) CA4FAHD1CA1MEN1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675104-B2 Cigarette paper additive having harm reduction function and application thereof CHINA TOBACCO SICHUAN INDUSTRIAL CO., LTD. (CN) 2017-06-13 US claimed
US-20150201671-A1 CIGARETTE PAPER ADDITIVE HAVING HARM REDUCTION FUNCTION AND APPLICATION THEREOF CHINA TOBACCO SICHUAN INDUSTRIAL CO., LTD. (CN) 2015-07-23 US claimed
US-9675104-B2 Cigarette paper additive having harm reduction function and application thereof CHINA TOBACCO SICHUAN INDUSTRIAL CO., LTD. (CN) 2017-06-13 US disclosed
US-20150201671-A1 CIGARETTE PAPER ADDITIVE HAVING HARM REDUCTION FUNCTION AND APPLICATION THEREOF CHINA TOBACCO SICHUAN INDUSTRIAL CO., LTD. (CN) 2015-07-23 US disclosed
US-7129368-B2 Platinum carboxylate anticancer compounds SONUS PHARMACEUTICALS, INC. (US) 2006-10-31 US disclosed
WO-2005090372-A2 PLATINUM CARBOXYLATE ANTICANCER COMPOUNDS SONUS PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050209321-A1 Platinum carboxylate anticancer compounds SONUS PHARMACEUTICALS, INC. 2005-09-22 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 (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-20050209321-A1 Platinum carboxylate anticancer compounds TP53, PCNA, MCL1 CA4 1103/4885CA1 533/4885FAHD1 238/4885

“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.