SCHEMBL1735933

SCHEMBL1735933

COc1c(O)ccc(C(=O)c2ccccc2)c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.50

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 1/20 0.49
PDE4D known ✓ Q08499 1/20 0.49
NOD2 known ✓ Q9HC29 1/20 0.41
CA12 known ✓ O43570 2/20 0.36
CA1 known ✓ P00915 2/20 0.36
CA2 known ✓ P00918 2/20 0.36
LMNA P02545 6/20 0.50
MAPT P10636 6/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL744481 0.86 MAPT (0.54) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL16424564 0.81 KMT2A (0.46) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL7767220 0.79 MAPT (0.60) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL170073 0.78 MAPT (0.65) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL25381912 0.78 MAPT (0.64) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL489201 0.78 MAPT (0.42) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL9411580 0.77 LIG1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
Sulfuric Acid SCHEMBL2878069 0.76 MAPT (0.52) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL9239540 0.76 LMNA (0.56) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL687665 0.75 MAPT (0.59) LMNAMAPTHTTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172185-B1 Cosmetic material comprising octyl hydroxy stearate oligomer PARAHERMOSA CO LTD (JP) 2011-11-23 EP claimed
CN-112352010-B Crosslinked silicone resin, method for producing same, and cosmetic 信越化学工业株式会社 2023-07-14 CN disclosed
US-10428236-B2 Polyurethane urea resin composition exhibiting UV-absorption-agent resistance, moulded body using said composition, and coating material TOSOH CORPORATION (JP) 2019-10-01 US disclosed
WO-2019142921-A1 COSMETIC COMPOSITION 日本製紙株式会社 2019-07-25 WO disclosed
EP-3434330-A1 A METHOD FOR ENHANCING THE COOLING EFFECT OF A COOLING COMPOUND Symrise AG (DE) 2019-01-30 EP disclosed
US-9925129-B2 Oil-in-water emulsion cosmetic and method for producing same JO COSMETICS CO., LTD. (JP) 2018-03-27 US disclosed
US-20170130094-A1 POLYURETHANE UREA RESIN COMPOSITION EXHIBITING UV-ABSORPTION-AGENT RESISTANCE, MOULDED BODY USING SAID COMPOSITION, AND COATING MATERIAL TOSOH CORPORATION (JP) 2017-05-11 US disclosed
US-20160081891-A1 OIL-IN-WATER EMULSION COSMETIC AND METHOD FOR PRODUCING SAME JO COSMETICS CO., LTD. (JP) 2016-03-24 US disclosed
EP-2579950-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT Symrise AG (DE) 2013-04-17 EP disclosed
US-8198335-B2 Cosmetic material PARAHERMOSA CO., LTD. (JP) 2012-06-12 US disclosed
EP-1352638-B1 COSMETICS FOR ALLEVIATING SKIN IRRITATION SHISEIDO CO LTD (JP) 2009-05-20 EP disclosed
EP-1593364-B1 Three-phase hair care composition KPSS KAO GMBH (DE) 2008-10-15 EP disclosed
WO-2007077259-A9 SYNERGISTIC ACTIVE PREPARATIONS COMPRISING DIPHENYLMETHANE DERIVATIVES AND FURTHER SKIN AND/OR HAIR LIGHTENING AND/OR SENILE KERATOSIS REDUCING COMPOUNDS SYMRISE GMBH & CO KG (DE) 2007-09-20 WO disclosed
US-20070116654-A1 Cosmetics SHISEIDO CO., LTD. 2007-05-24 US disclosed
US-7169379-B2 Cosmetics SHISEIDO CO., LTD. (JP) 2007-01-30 US disclosed
US-20050249688-A1 Hair care composition KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-10 US disclosed
EP-1593364-A1 Three-phase hair care composition KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-09 EP disclosed
US-6673756-B2 MULTILAYER; CUTTING, JOINING UNDER PRESSURE SYMRISE GMBH & CO. KG (DE) 2004-01-06 US disclosed
EP-1352638-A1 COSMETICS SHISEIDO COMPANY, LTD. (JP) 2003-10-15 EP disclosed
US-20020173436-A1 Multilayer; cutting, joining under pressure SYMRISE GMBH & CO. KG (DE) 2002-11-21 US 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-20050249688-A1 Hair care composition KRT18, CUTA, LAGE3 PDE4A 3416/4885PDE4D 2372/4885NOD2 4703/4885

“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.