SCHEMBL4920174

SCHEMBL4920174

O=C([O-])c1ccc(Cc2cc(Cl)ccc2OCc2ccncc2Cl)o1.[Na+]

nearest known ligand 0.71

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 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 18/20 0.71
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL14008079 0.91 PTGER1 (0.60) PTGER1CYP1A2CYP2C9NPC1POLB
SCHEMBL4924057 0.90 PTGER1 (0.80) PTGER1NPC1POLBRAB9AMRGPRX4
SCHEMBL4925878 0.87 PTGER1 (0.53) PTGER1CYP1A2CYP2C9NPC1POLB
SCHEMBL4924916 0.86 PTGER1 (0.77) PTGER1CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL14008100 0.85 PTGER1 (0.62) PTGER1CYP1A2CYP2C9POLBCYP3A4
SCHEMBL4923546 0.83 PTGER1 (1.00) PTGER1
SCHEMBL4928105 0.83 PTGER1 (0.69) PTGER1CYP1A2CYP2C9NPC1POLB
SCHEMBL4926641 0.82 PTGER1 (0.82) PTGER1CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL4924024 0.81 PTGER1 (0.73) PTGER1CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL4923076 0.81 PTGER1 (0.76) PTGER1CYP1A2CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287430-A1 Furan Compounds Useful As Ep1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-11-20 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 (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-20080287430-A1 Furan Compounds Useful As Ep1 Receptor Antagonists PTGER1, PTGER2, PTGER3 PTGER1 1/4885CYP1A2 317/4885CYP2C9 547/4885

“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.