SCHEMBL4153858

SCHEMBL4153858

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

nearest known ligand 0.46

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 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR4 Q99677 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
DGKA P23743 1/20 0.38
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL19553756 0.86 CA1 (0.35) MAPTLMNA
SCHEMBL28520119 0.85 MAPT (0.49) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL27734730 0.84 MAPT (0.51) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL5365642 0.84 MAPT (0.51) MAPTLMNAKDM4EDUSP3MEN1
Octane SCHEMBL4338103 0.82 CA1 (0.40) MAPTLPAR1LPAR4LPAR2LPAR3
SCHEMBL27603184 0.82 MAPT (0.50) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL27496716 0.80 MAPT (0.53) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL27952502 0.78 MAPT (0.56) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL9579019 0.73 LMNA (0.50) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL20504493 0.72 MAPT (0.42) MAPTLMNAKDM4EDUSP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10918618-B2 Methods of reducing microbial contamination 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-02-16 US disclosed
EP-2497459-B1 Methods of reducing microbial contamination 3M INNOVATIVE PROPERTIES CO (US) 2019-04-24 EP disclosed
EP-3025704-B1 METHODS OF REDUCING MICROBIAL CONTAMINATION 3M INNOVATIVE PROPERTIES CO (US) 2019-01-16 EP disclosed
US-20180207122-A1 METHODS OF REDUCING MICROBIAL CONTAMINATION 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-26 US disclosed
EP-3025704-A1 METHODS OF REDUCING MICROBIAL CONTAMINATION 3M Innovative Properties Company (US) 2016-06-01 EP disclosed
US-20150094368-A1 METHODS OF REDUCING MICROBIAL CONTAMINATION SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-04-02 US disclosed
EP-1858482-B1 METHODS OF REDUCING MICROBIAL CONTAMINATION 3M INNOVATIVE PROPERTIES CO (US) 2014-04-23 EP disclosed
EP-2497459-A1 Methods of reducing microbial contamination 3M Innovative Properties Co. (US) 2012-09-12 EP disclosed
EP-2497460-A1 Methods of reducing microbial contamination 3M Innovative Properties Co. (US) 2012-09-12 EP disclosed
US-20090226541-A1 METHODS OF REDUCING MICROBIAL CONTAMINATION 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-10 US disclosed
EP-1858482-A2 METHODS OF REDUCING MICROBIAL CONTAMINATION 3M Innovative Properties Company (US) 2007-11-28 EP disclosed
WO-2006099359-A2 METHODS OF REDUCING MICROBIAL CONTAMINATION 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-21 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 (4 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-10918618-B2 Methods of reducing microbial contamination LPO, CAT, UNG MAPT 3852/4885LMNA 2073/4885KDM4E 4241/4885
US-20150094368-A1 METHODS OF REDUCING MICROBIAL CONTAMINATION LPO, CAT, UNG MAPT 3852/4885LMNA 2073/4885KDM4E 4241/4885
US-20090226541-A1 METHODS OF REDUCING MICROBIAL CONTAMINATION LPO, CAT, UNG MAPT 3852/4885LMNA 2073/4885KDM4E 4241/4885
US-20180207122-A1 METHODS OF REDUCING MICROBIAL CONTAMINATION LPO, CAT, UNG MAPT 3852/4885LMNA 2073/4885KDM4E 4241/4885

“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.