SCHEMBL10496151

SCHEMBL10496151

CCCCCCCCCCCCCC(CCCCCCCCCCCC)OS(=O)(=O)[O-].[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 16)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 4/20 0.41
CA1 known ✓ P00915 4/20 0.38
RECQL P46063 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
EPHX2 P34913 1/20 0.52
BLM P54132 1/20 0.52
NR1I2 O75469 1/20 0.42
FUT7 Q11130 1/20 0.40
MGAM O43451 3/20 0.39
TP53 P04637 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
SMPD1 P17405 3/20 0.36
CA9 Q16790 3/20 0.35

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
SCHEMBL11418237 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL5154873 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4641831 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL11415404 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL15797034 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL5157776 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL17336063 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10439386 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL17336087 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL17912782 1.00 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666050-B2 Enhancing the antimicrobial activity of biocides with polymers BASF SE (DE) 2023-06-06 US claimed
US-20200221694-A1 Enhancing the Antimicrobial Activity of Biocides with Polymers BASF SE (DE) 2020-07-16 US claimed
US-4876035-A CONTAINING ETHYLENE OXIDE ADDUCT NONIONIC SURFACTANT, POLYOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-10-24 US claimed

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-11666050-B2 Enhancing the antimicrobial activity of biocides with polymers CAT, AOC1, DDT CA2 845/4885CA1 1024/4885RECQL 2069/4885
US-20200221694-A1 Enhancing the Antimicrobial Activity of Biocides with Polymers CAT, AOC1, DDT CA2 845/4885CA1 1024/4885RECQL 2069/4885

“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.