SCHEMBL4278045

SCHEMBL4278045

CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CCC(=O)[O-])c2)c(OCC(C)C)c1.[Na+]

nearest known ligand 0.64

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 2/20 0.38
▸ XDH known ✓ P47989 2/20 0.35
▸ JUN P05412 3/20 0.64
▸ FOS P01100 2/20 0.64
▸ LTB4R Q15722 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PTGER1 P34995 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ UGT1A1 P22309 1/20 0.36
▸ UGT1A3 P35503 1/20 0.36
▸ UGT1A8 Q9HAW9 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ELANE P08246 1/20 0.34

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
SCHEMBL4276620 0.89 JUN (0.81) JUNFOSLTB4RALDH1A1HIF1A
SCHEMBL4284195 0.87 FOS (0.64) JUNFOSLTB4RALDH1A1HIF1A
SCHEMBL4276443 0.85 FOS (0.62) JUNFOSLTB4RALDH1A1HIF1A
SCHEMBL4278592 0.83 FOS (0.59) JUNFOSALDH1A1HIF1AMAPT
SCHEMBL4282700 0.82 JUN (0.81) JUNFOSLTB4RALDH1A1HIF1A
SCHEMBL4279716 0.82 FOS (0.63) JUNFOSALDH1A1HIF1APTGER1
SCHEMBL4279563 0.82 JUN (0.76) JUNFOSLTB4RALDH1A1HIF1A
SCHEMBL4277010 0.80 JUN (0.61) JUNFOSLTB4RALDH1A1HIF1A
SCHEMBL4278603 0.80 FOS (0.57) JUNFOSALDH1A1HIF1APTGER1
SCHEMBL4288990 0.80 JUN (0.73) JUNFOSLTB4RALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 — — US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 — — US disclosed
CN-1325376-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2001-12-05 — — CN disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 — — 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 THRB 3521/4885XDH 1365/4885JUN 20/4885

“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.

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