SCHEMBL170069

SCHEMBL170069

C=CCNCCC(=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 18)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.36
CA1 known ✓ P00915 2/20 0.33
BBOX1 O75936 3/20 0.46
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HTT P42858 1/20 0.33
FAAH O00519 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4861386 0.82
SCHEMBL902802 0.78 CA4 (0.50) BBOX1CA4FFAR3HDAC3HDAC1
SCHEMBL253528 0.77
Lithium Ion SCHEMBL19032770 0.77
Potassium Ion SCHEMBL7184520 0.77
SCHEMBL757712 0.76
SCHEMBL8186347 0.74 BBOX1 (0.46) BBOX1CA4FFAR3HDAC3HDAC1
SCHEMBL17107794 0.74 TSHR (0.45) BBOX1TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL3989151 0.72 LMNA (0.50) TSHRSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL1489418 0.72 ALOX15 (0.42) TSHRSMN1; SMN2MAPTHTTKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118360613-A Phosphorus-free low-COD metal oil and wax removal powder and preparation method and application thereof 广州三孚新材料科技股份有限公司 2024-07-19 CN claimed
US-20180049438-A1 NITRIFICATION INHIBITOR COMPOSITIONS AND METHODS FOR PREPARING THE SAME CORTEVA AGRISCIENCE LLC 2018-02-22 US claimed
EP-3240768-A2 NITRIFICATION INHIBITOR COMPOSITIONS AND METHODS FOR PREPARING THE SAME Dow AgroSciences LLC (US) 2017-11-08 EP claimed
WO-2016108927-A2 NITRIFICATION INHIBITOR COMPOSITIONS AND METHODS FOR PREPARING THE SAME DOW AGROSCIENCES LLC (US) 2016-07-07 WO claimed
CN-118360613-A Phosphorus-free low-COD metal oil and wax removal powder and preparation method and application thereof 广州三孚新材料科技股份有限公司 2024-07-19 CN disclosed
CN-118360613-A Phosphorus-free low-COD metal oil and wax removal powder and preparation method and application thereof 广州三孚新材料科技股份有限公司 2024-07-19 CN disclosed
US-20180049438-A1 NITRIFICATION INHIBITOR COMPOSITIONS AND METHODS FOR PREPARING THE SAME CORTEVA AGRISCIENCE LLC 2018-02-22 US disclosed
US-8357392-B2 Dry antiseptic wipes comprising an amphoteric surfactant KELLY ALBERT R (US) 2013-01-22 US disclosed
US-20120055510-A1 Antiseptic Wipes KELLY ALBERT R (US) 2012-03-08 US disclosed
US-20100272602-A1 Antiseptic wipes KELLY ALBERT R 2010-10-28 US disclosed
US-20100136079-A1 Antiseptic wipes KELLY ALBERT R 2010-06-03 US disclosed
US-7723418-B2 Antistatic resin composition SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-25 US disclosed
WO-1996003466-A1 PASTE OR PRINTABLE INK COMPOSITIONS COOKSON MATTHEY CERAMICS & MATERIALS LIMITED (GB) 1996-02-08 WO disclosed
WO-1996000195-A1 CERAMIC SLURRY GLAZE FORMULATIONS COOKSON MATTHEY CERAMICS & MATERIALS LTD. (GB) 1996-01-04 WO disclosed
US-4802921-A ALKALI METAL SILICATES HARDENER AND RELEASE AGENT LIGHTWEIGHT Fujii, Minoru (JP) 1989-02-07 US disclosed
US-4683019-A ALKALI SILICATES, HARDENING, HYDRATES, ABSORBERS, HEAT SHIKOKU KAKEN KOGYO KABUSHIKI KAISHA (JP) 1987-07-28 US disclosed
EP-0084266-B1 REFRACTORY COATING COMPOSITIONS Fujii, Minoru (JP) 1986-10-08 EP disclosed
EP-0164416-A1 METHOD OF APPLYING FIRE-RESISTANT COVERINGS TO STEEL FRAME SHIKOKU KAKEN KOGYO KABUSHIKI KAISHA (JP) 1985-12-18 EP disclosed
US-4483713-A Compositions for preparing inorganic foamed bodies SHIKOKU KAKEN KOGYO KABUSHIKI KAISHA (JP) 1984-11-20 US disclosed
EP-0084266-A2 Refractory coating compositions Fujii, Minoru (JP) 1983-07-27 EP 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 (3 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-20120055510-A1 Antiseptic Wipes PRKDC, KRT18, TK1 CA4 1913/4885CA1 2617/4885BBOX1 226/4885
US-20100272602-A1 Antiseptic wipes PRKDC, KRT18, TK1 CA4 1913/4885CA1 2617/4885BBOX1 226/4885
US-20100136079-A1 Antiseptic wipes POLR1C, CUTA, PRKDC CA4 2265/4885CA1 3539/4885BBOX1 2269/4885

“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.