SCHEMBL173239

SCHEMBL173239

CCCCCNCCC(=O)[O-].[Na+]

nearest known ligand 0.58

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 18)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.58
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
FFAR3 O14843 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
NFKB1 P19838 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
S1PR2 O95136 5/20 0.46
S1PR4 O95977 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
FABP3 P05413 2/20 0.46
S1PR5 Q9H228 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL3986182 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25232579 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25246688 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25240427 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25211845 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25243757 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25253609 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25245607 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25246807 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL25255737 0.98 CA1 (0.56) CA1ALDH1A1TSHRFFAR3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508169-B1 POLYMERSOME AND PROCESS FOR PRODUCING SAME SHISEIDO CO LTD (JP) 2018-09-05 EP disclosed
US-8603533-B2 Polymersomes and production method thereof SHISEIDO COMPANY, LTD. (JP) 2013-12-10 US disclosed
EP-2508169-A1 POLYMERSOME AND PROCESS FOR PRODUCING SAME Shiseido Company, Ltd. (JP) 2012-10-10 EP disclosed
US-20120231055-A1 Polymersomes And Production Method Thereof SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
EP-2092931-B1 Oil-in-water emulsified milky skin cosmetic preparation SHISEIDO CO LTD (JP) 2012-08-15 EP disclosed
US-8182828-B2 Oil-in-water emulsified milky skin cosmetic preparation SHISEIDO COMPANY LTD. (JP) 2012-05-22 US disclosed
US-20120093747-A1 SUNSCREEN COSMETIC COMPOSITION CONTAINING ULTRAVIOLET ABSORBER ADEKA CORPORATION (JP) 2012-04-19 US disclosed
US-8153142-B2 Skin treatment composition SHISEIDO CO., LTD. (JP) 2012-04-10 US disclosed
US-20120058065-A1 Oil-Based Skin Treatment Composition SHISEIDO COMPANY, LTD. (JP) 2012-03-08 US disclosed
EP-2420221-A1 POWDERED SOLID COSMETIC AND MANUFACTURING METHOD THEREFOR Shiseido Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120039971-A1 Solid Powder Cosmetic And Method For Producing The Same SHISEIDO COMPANY, LTD. (JP) 2012-02-16 US disclosed
WO-2011137938-A1 COSMETIC COMPOSITION COMPRISING BORON NITRIDE COMPLEX POWDER CHANEL PARFUMS BEAUTE (FR) 2011-11-10 WO disclosed
WO-2011069915-A1 COMPOSITION FOR EXTERNAL USE AND METHOD FOR PRODUCING THE SAME CHANEL PARFUMS BEAUTE (FR) 2011-06-16 WO disclosed
US-20110098231-A1 Skin Cosmetic SHISEIDO COMPANY, LTD. (JP) 2011-04-28 US disclosed
EP-2092931-A1 Oil-in-water emulsified milky skin cosmetic preparation Shiseido Co., Ltd. (JP) 2009-08-26 EP disclosed
US-20090202600-A1 Oil-In-Water Emulsified Milky Skin Cosmetic Preparation SHISEIDO COMPANY LTD. (JP) 2009-08-13 US disclosed
US-20070196349-A1 Whitening composition containing reduced coenzyme Q KANEKA CORPORATION (JP) 2007-08-23 US disclosed
EP-1790238-A1 WHITENING COMPOSITION CONTAINING REDUCED COENZYME Q Kaneka Corporation (JP) 2007-05-30 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 (5 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-20120039971-A1 Solid Powder Cosmetic And Method For Producing The Same SETDB1, FABP4, CUTA CA1 967/4885ALDH1A1 2046/4885TSHR 535/4885
US-20090202600-A1 Oil-In-Water Emulsified Milky Skin Cosmetic Preparation CUTA, ACMSD, MC1R CA1 3738/4885ALDH1A1 2642/4885TSHR 1743/4885
US-20120093747-A1 SUNSCREEN COSMETIC COMPOSITION CONTAINING ULTRAVIOLET ABSORBER CYP8B1, TYR, ERCC5 CA1 4170/4885ALDH1A1 188/4885TSHR 1618/4885
US-20070196349-A1 Whitening composition containing reduced coenzyme Q NDUFA7, NDUFA11, NDUFA12 CA1 4800/4885ALDH1A1 244/4885TSHR 4410/4885
US-20110098231-A1 Skin Cosmetic CUTA, DEGS1, ALAD CA1 3772/4885ALDH1A1 1951/4885TSHR 4285/4885

“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.