SCHEMBL489201

SCHEMBL489201

COc1c(O)c(O)c(C(=O)c2ccccc2)c(S(=O)(=O)[O-])c1OC.[Na+]

nearest known ligand 0.42

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
PDE4A known ✓ P27815 2/20 0.38
PDE4D known ✓ Q08499 2/20 0.38
PDE4B known ✓ Q07343 1/20 0.37
PDE4C known ✓ Q08493 1/20 0.37
LY96 known ✓ Q9Y6Y9 1/20 0.36
THRB known ✓ P10828 1/20 0.35
PTGS2 known ✓ P35354 1/20 0.35
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 4/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL7832016 0.87 MAPT (0.46) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL23036909 0.86 MAPT (0.45) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL26110849 0.81 MAPT (0.46) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL29047180 0.80 MAPT (0.50) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL11776415 0.78 MAPT (0.51) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL1735933 0.78 LMNA (0.50) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL28089542 0.77 MAPT (0.50) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL26110853 0.75 MAPT (0.46) MAPTKDM4EHSD17B10MAPK1ALOX15
Sulfuric Acid SCHEMBL2878069 0.75 MAPT (0.52) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL170073 0.75 MAPT (0.65) MAPTKDM4EHSD17B10MAPK1ALOX15

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397389-A Transparent liquid composition and cosmetic containing the same 株式会社成和化成 2022-11-25 CN disclosed
EP-3332774-B1 COMPOSITION FOR SOFT CAPSULE SHELL FUJI CAPSULE CO LTD (JP) 2021-09-29 EP disclosed
CN-107106507-B Soft capsule 富士胶囊有限公司 2020-05-19 CN disclosed
CN-111032009-A Skin whitening agent, external skin preparation for whitening skin, and method for whitening skin 一丸自然美建有限公司 2020-04-17 CN disclosed
EP-3202395-B1 SOFT CAPSULE SHELL FUJI CAPSULE CO LTD (JP) 2018-12-19 EP disclosed
EP-1914264-B1 SURFACE-TREATED POWDER AND COSMETIC COMPRISING THE SAME MIYOSHI KASEI INC (JP) 2018-08-29 EP disclosed
US-20180214384-A1 Composition for Soft Capsule Shell FUJI CAPSULE CO., LTD. (JP) 2018-08-02 US disclosed
EP-3332774-A1 COMPOSITION FOR SOFT CAPSULE COATING Fuji Capsule Co., Ltd. (JP) 2018-06-13 EP disclosed
US-9901547-B2 Soft capsule shell FUJI CAPSULE CO., LTD. (JP) 2018-02-27 US disclosed
US-20170292011-A1 SOFT CAPSULE SHELL FUJI CAPSULE CO., LTD. (JP) 2017-10-12 US disclosed
EP-1291376-A1 SILICONE POLYMER, SILICONE COMPOSITION, AND COSMETIC PREPARATION CONTAINING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-03-12 EP disclosed
EP-1287807-A1 COSMETIC PREPARATION Showa Denko K.K. (JP) 2003-03-05 EP disclosed
US-6528068-B1 An oily material for cosmetic compositions which oily material is an N-long-chain acyl neutral amino acid ester containing a straight-chain or branched-chain, saturated or unsaturated acyl group having from 6 to 22 carbon atoms, where the AJINOMOTO CO., INC. (JP) 2003-03-04 US disclosed
US-6500415-B2 OVERCOATED TITANIUM OXIDE SHOWA DENKO K.K. (JP) 2002-12-31 US disclosed
US-20020115723-A1 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2002-08-22 US disclosed
US-20020041853-A1 Cosmetic composition SHOWA DENKO K.K. 2002-04-11 US disclosed
WO-2002022098-A2 SUNSCREEN COSMETIC COMPOSITION SHOWA DENKO K.K. (JP) 2002-03-21 WO disclosed
EP-1120407-A1 CYSTEINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-08-01 EP disclosed
EP-0992236-A1 SKIN-LIGHTENING COSMETIC Sunstar Inc. (JP) 2000-04-12 EP disclosed
EP-0928608-A2 Cosmetic composition Ajinomoto Co., Inc. (JP) 1999-07-14 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-20020115723-A1 Cysteine derivatives NFE2L2, GCLC, KEAP1 PDE4A 4320/4885PDE4D 4225/4885PDE4B 4577/4885

“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.