SCHEMBL4154703

SCHEMBL4154703

O=C([O-])c1cccc(C2=C(c3cc(C(F)(F)F)cnc3OCc3ccc(C(F)(F)F)cc3)CCC2)n1.[Na+]

nearest known ligand 0.45

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 8)

geneUniProtsupporting neighboursconfidence
SCN9A known ✓ Q15858 2/20 0.36
PTGER1 P34995 11/20 0.45
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
MAOB P27338 4/20 0.37
MAOA P21397 3/20 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
SCHEMBL4150748 0.95 PTGER1 (0.44) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4155114 0.94 PTGER1 (0.45) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL13697227 0.91 PTGER1 (0.51) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4154353 0.89 PTGER1 (0.43) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4162728 0.88 PTGER1 (0.50) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4159443 0.87 PTGER1 (0.47) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4150290 0.87 PTGER1 (0.50) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL13696906 0.87 MAOB (0.44) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4168535 0.86 PTGER1 (0.54) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4150730 0.86 PTGER1 (0.43) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4

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-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B SCN9A 1429/4885PTGER1 246/4885CYP2C9 5/4885

“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.