SCHEMBL29938211

SCHEMBL29938211

O=C([O-])c1ccc(OCCN2CCCCC2)cc1.[Na+]

nearest known ligand 0.76

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
THRB known ✓ P10828 1/20 0.58
PDE4D known ✓ Q08499 1/20 0.58
PSMB1 P20618 10/20 0.76
PSMB5 P28074 10/20 0.76
PSMB2 P49721 7/20 0.76
LTA4H P09960 1/20 0.66
KDM4E B2RXH2 4/20 0.64
HRH3 Q9Y5N1 4/20 0.60
ALDH1A1 P00352 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
KCNH2 Q12809 2/20 0.59
MAOB P27338 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
ADRA2C P18825 1/20 0.58

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
SCHEMBL1027972 0.85 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2741667 0.85 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL6597214 0.84 PSMB1 (0.97) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL1358423 0.84 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL30969263 0.84 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL10827750 0.84 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL228398 0.84 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL1358544 0.84 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL12193816 0.84 KDM4E (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL228100 0.84 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 WO 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-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G THRB 1705/4885PDE4D 1180/4885PSMB1 3699/4885

“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.