SCHEMBL29892362

SCHEMBL29892362

Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(N=Nc4ccc(Nc5ccc([N+](=O)[O-])cc5S(=O)(=O)[O-])cc4)c4cc(S(=O)(=O)[O-])ccc34)c(C)c2)cc1.[Na+].[Na+]

nearest known ligand 0.44

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 0.44
▸ P2RY2 known ✓ P41231 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TBXA2R P21731 4/20 0.39
▸ GPR17 Q13304 2/20 0.39
▸ SLC7A11 Q9UPY5 1/20 0.38
▸ MAOA P21397 1/20 0.36
▸ ALPL P05186 2/20 0.36
▸ ALPI P09923 2/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ MAPT P10636 3/20 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
SCHEMBL30371755 0.91 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL30017863 0.90 TBXA2R (0.39) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL2859976 0.90 TBXA2R (0.39) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL30371789 0.78 ALDH3A1 (0.46) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL13461109 0.78 ALDH3A1 (0.46) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL29384404 0.78 ALDH3A1 (0.46) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL14023358 0.78 ALDH3A1 (0.46) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL5564324 0.78 SMN1; SMN2 (0.41) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL29438051 0.78 SMN1; SMN2 (0.41) ALDH1A1MAPK1SMN1; SMN2TDP1RECQL
SCHEMBL2866121 0.75 TBXA2R (0.41) ALDH1A1CYP3A4TBXA2RGPR17ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092273-A1 WAX-BASED DRY ERASE INK CRAYOLA LLC (US) 2025-03-20 — — US disclosed
WO-2025014926-A1 COMPOSITIONS AND METHODS FOR PERMANENTLY OR REVERSIBLY COLORING FIBERS AND TEXTILES TANDEM REPEAT TECHNOLOGIES, INC. (US) 2025-01-16 — — WO disclosed
US-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION AAT BIOQUEST, INC. 2024-03-07 — — US disclosed
US-11821901-B2 Styryl phenols, derivatives and their use in methods of analyte detection AAT BIOQUEST, INC. (US) 2023-11-21 — — US disclosed
WO-2023200714-A1 WATER-SOLUBLE FILM BASED DELIVERY SYSTEMS FOR COLORANTS, GLITTER, AND OTHER CHEMISTRIES CRAYOLA LLC (US) 2023-10-19 — — WO disclosed
WO-2023200716-A1 HYDROGRAPHIC SHEET FORMED OF A WATER-SOLUBLE FILM PROVIDED WITH NON-AQUEOUS INK OR DYE DECORATION ART CRAYOLA LLC (US) 2023-10-19 — — WO disclosed
US-20230323051-A1 WATER-SOLUBLE FILM BASED DELIVERY SYSTEMS FOR COLORANTS, GLITTER, AND OTHER ARTISTIC EFFECTS CRAYOLA LLC (US) 2023-10-12 — — US disclosed
US-20230323595-A1 WATER-SOLUBLE FILM BASED DELIVERY SYSTEMS FOR COLORANTS, GLITTER, AND OTHER CHEMISTRIES CRAYOLA LLC (US) 2023-10-12 — — US disclosed
WO-2022210596-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, COLOR FILTER, AND MEMBER FOR DISPLAY DEVICE OR DISPLAY DEVICE 株式会社ダイセル 2022-10-06 — — 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 (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-11821901-B2 Styryl phenols, derivatives and their use in methods of analyte detection STUB1, SPR, HLCS THRB 309/4885P2RY2 4443/4885ALDH1A1 410/4885
US-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION STUB1, SPR, HLCS THRB 309/4885P2RY2 4443/4885ALDH1A1 410/4885

“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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