SCHEMBL29637843

SCHEMBL29637843

COc1cc(-c2ccc(N=Nc3c(O)ccc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)c(OC)c2)ccc1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1.[Na+].[Na+]

nearest known ligand 0.85

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 4/20 0.85
▸ CYP3A4 P08684 3/20 0.85
▸ MAPK1 P28482 3/20 0.85
▸ RECQL P46063 3/20 0.85
▸ HSD17B10 Q99714 3/20 0.85
▸ TDP1 Q9NUW8 3/20 0.85
▸ HIF1A Q16665 2/20 0.85
▸ ALDH1A1 P00352 2/20 0.85
▸ ALOX15 P16050 2/20 0.85
▸ ALOX12 P18054 1/20 0.85
▸ SMN1; SMN2 Q16637 1/20 0.85
▸ APP P05067 1/20 0.54
▸ PTPN1 P18031 4/20 0.47
▸ PRMT1 Q99873 1/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ APEX1 P27695 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43

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
SCHEMBL29366607 0.92 THRB (1.00) THRBCYP3A4MAPK1RECQLHSD17B10
SCHEMBL29568770 0.91 THRB (0.86) THRBCYP3A4MAPK1RECQLHSD17B10
SCHEMBL29482552 0.80 ALDH1A1 (0.78) THRBCYP3A4MAPK1RECQLHSD17B10
SCHEMBL29390387 0.79 MAPK1 (0.77) THRBCYP3A4MAPK1RECQLHSD17B10
SCHEMBL29438532 0.76 APP (0.66) THRBCYP3A4MAPK1RECQLHSD17B10
SCHEMBL185277 0.73 APP (0.98) THRBCYP3A4MAPK1RECQLHSD17B10
SCHEMBL29637814 0.73 MEN1 (0.64) THRBCYP3A4MAPK1RECQLHSD17B10
Orange G SCHEMBL29369740 0.72 APP (1.00) THRBCYP3A4MAPK1RECQLHSD17B10
Orange G SCHEMBL81967 0.72 APP (1.00) THRBCYP3A4MAPK1RECQLHSD17B10
Orange G SCHEMBL3873344 0.72 APP (1.00) THRBCYP3A4MAPK1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-111133382-B Photosensitive resin composition, cured film, element and organic EL display device having cured film, and method for producing same 东丽株式会社 2023-10-31 — — CN disclosed
CN-111094474-B Near-infrared-curable ink composition, near-infrared-curable film, method for producing near-infrared-curable film, and method for photo-molding 住友金属矿山株式会社 2022-06-07 — — CN 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 309/4885CYP3A4 314/4885MAPK1 4195/4885
US-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION STUB1, SPR, HLCS THRB 309/4885CYP3A4 314/4885MAPK1 4195/4885

“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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