SCHEMBL8438387

SCHEMBL8438387

Cc1cc(Cl)ccc1OCCC(=O)[O-].[Na+]

nearest known ligand 0.62

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
KDM4E B2RXH2 2/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 4/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
NPC1 O15118 2/20 0.55
CYP1A2 P05177 2/20 0.54
GAA P10253 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL8443314 0.97 KDM4E (0.62) KDM4ETP53ALOX15ALDH1A1MEN1
Potassium Ion SCHEMBL8441216 0.97 KDM4E (0.62) KDM4ETP53ALOX15ALDH1A1MEN1
Mcpb SCHEMBL15547896 0.93 KDM4E (0.68) KDM4ETP53ALOX15ALDH1A1MEN1
Mcpb SCHEMBL1896022 0.90 KDM4E (0.68) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL8441616 0.84 MAPT (0.60) TP53ALDH1A1MEN1KMT2AHPGD
Metaxon SCHEMBL5475058 0.84 CYP1A2 (0.61) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL9487859 0.84 TP53 (0.65) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL3667070 0.84 KDM4E (0.65) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL11739981 0.83 KDM4E (0.63) KDM4ETP53ALOX15ALDH1A1MEN1
SCHEMBL8504061 0.83 MEN1 (0.69) KDM4ETP53ALOX15ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12568972-B2 Pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2026-03-10 US disclosed
US-20220312770-A1 PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2022-10-06 US disclosed
EP-3747870-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2020-12-09 EP disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-5939584-A Process for preparing solid, free-flowing water-soluble salts of aryloxy-C1 -C4 -alkanecarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1999-08-17 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 (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-20220312770-A1 PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF PDXK, DDT, PNPO KDM4E 1513/4885TP53 3967/4885ALOX15 1924/4885
US-12568972-B2 Pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof CBR3, CHRM3, CYCS KDM4E 4266/4885TP53 3099/4885ALOX15 2429/4885

“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.