SCHEMBL4901529

SCHEMBL4901529

C=C(C(=O)[O-])c1ccccc1.[Na+]

nearest known ligand 0.58

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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.58
CA4 known ✓ P22748 2/20 0.58
CA12 known ✓ O43570 1/20 0.42
CA1 known ✓ P00915 1/20 0.42
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
AKT1 P31749 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 2/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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 SCHEMBL28449081 0.98 CA2 (0.54) CA2CA4CES1CES2ALDH1A1
SCHEMBL9419368 0.95 CA2 (0.52) CA2CA4CES1CES2ALDH1A1
Zinc Ion SCHEMBL9419389 0.95 CA2 (0.52) CA2CA4CES1CES2ALDH1A1
SCHEMBL9419353 0.95 CA2 (0.52) CA2CA4CES1CES2ALDH1A1
SCHEMBL9419361 0.95 CA2 (0.52) CA2CA4CES1CES2ALDH1A1
SCHEMBL9476112 0.95 CA2 (0.52) CA2CA4CES1CES2ALDH1A1
SCHEMBL9419395 0.95 CA2 (0.52) CA2CA4CES1CES2ALDH1A1
SCHEMBL11108988 0.87 CA2 (0.44) CA2CA4TSHRCA1
SCHEMBL3381975 0.78 CES1 (0.48) CA2CA4CES1CES2ALDH1A1
SCHEMBL9861745 0.77 CES2 (0.54) CA2CA4CES1CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088339-A Preparation method of difluoro sulfonyl imide salt 河南省氟基新材料科技有限公司 2023-11-21 CN claimed
EP-0293595-B1 Ionomer resin and preparation of same IDEMITSU KOSAN CO (JP) 1994-01-05 EP claimed
US-4956418-A Ethylene-unsaturated carboxylic acid copolymers, mechanical strength, oxygen gas barriers and heat resistance IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-09-11 US claimed
EP-0293595-A2 Ionomer resin and preparation of same IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-12-07 EP claimed
CN-115651349-B PC/ABS composite material and preparation method thereof, blow molding die and blow molding method 东莞市优特美工程塑料有限公司 2023-11-14 CN disclosed
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 EP disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 WO disclosed
EP-0293595-B1 Ionomer resin and preparation of same IDEMITSU KOSAN CO (JP) 1994-01-05 EP disclosed
US-5270420-A Ethylene-acrylic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-14 US disclosed
EP-0356692-B1 Process for production of stretched moldings IDEMITSU KOSAN CO (JP) 1993-12-01 EP disclosed
US-4956418-A Ethylene-unsaturated carboxylic acid copolymers, mechanical strength, oxygen gas barriers and heat resistance IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-09-11 US disclosed
EP-0356692-A2 Process for production of stretched moldings IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-03-07 EP disclosed
EP-0293595-A2 Ionomer resin and preparation of same IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-12-07 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 (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-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 CA2 3999/4885CA4 2541/4885CA12 2611/4885

“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.