SCHEMBL1643318

SCHEMBL1643318

CC(O)N(CC(=O)[O-])CC(=O)[O-].[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 16)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.44
CA1 known ✓ P00915 3/20 0.41
CA4 known ✓ P22748 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CASP1 P29466 1/20 0.33
SLC22A16 Q86VW1 1/20 0.33
NFKB1 P19838 1/20 0.32
BBOX1 O75936 1/20 0.32

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
SCHEMBL10787610 0.95 CA2 (0.39) CA2CA1CA4KDM4EMAPT
SCHEMBL3986267 0.95 CA2 (0.39) CA2CA1CA4KDM4EMAPT
Zinc Ion SCHEMBL9489096 0.95 CA2 (0.39) CA2CA1CA4KDM4EMAPT
SCHEMBL9598127 0.83 KDM4E (0.52) CA2CA1CA4KDM4EMAPT
SCHEMBL6903724 0.82 CA2 (0.34) CA2CA1NFKB1
SCHEMBL11656239 0.80 CA2 (0.44) CA2CA1CA4KDM4EMAPT
SCHEMBL144802 0.78 CA2 (0.42) CA2CA1CA4KDM4EMAPT
SCHEMBL15967881 0.78 CA2 (0.42) CA2CA1CA4KDM4EMAPT
SCHEMBL30524564 0.76 CA2 (0.52) CA2CA1CA4KDM4EMAPT
Water SCHEMBL21404877 0.76 CA2 (0.41) CA2CA1CA4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065962-A1 COSMETIC PREPARATION SHISEIDO COMPANY, LTD. (JP) 2024-02-29 US claimed
EP-4292582-A1 COSMETIC PREPARATION Shiseido Company, Ltd. (JP) 2023-12-20 EP claimed
CN-110256266-B Preparation method and detection method of hydroxyethyl iminodiacetic acid disodium salt 佳化化学科技发展(上海)有限公司 2022-06-28 CN claimed
EP-4203902-B1 HAIR CARE COMPOSITION WITH A ANTIDANDRUFF EFFECT HENKEL AG & CO KGAA (DE) 2026-03-11 EP disclosed
US-20250107979-A1 Hair Treatment Compositions Having Anti-Dandruff Action HENKEL AG & CO. KGAA (DE) 2025-04-03 US disclosed
US-20250107984-A1 Antidandruff Shampoo HENKEL AG & CO. KGAA (DE) 2025-04-03 US disclosed
EP-4504133-A1 ANTIDANDRUFF SHAMPOO Henkel AG & Co. KGaA (DE) 2025-02-12 EP disclosed
EP-4504135-A1 HAIR TREATMENT COMPOSITIONS HAVING ANTIDANDRUFF ACTION Henkel AG & Co. KGaA (DE) 2025-02-12 EP disclosed
EP-4464307-A1 COSMETIC COMPOSITION AND METHODS OF MAKING THE SAME MPLUS COSMETICS S.R.L. (IT) 2024-11-20 EP disclosed
US-20240374498-A1 COSMETIC COMPOSITION AND METHODS OF MAKING THE SAME MPLUS COSMETICS S.R.L. (IT) 2024-11-14 US disclosed
US-20240065962-A1 COSMETIC PREPARATION SHISEIDO COMPANY, LTD. (JP) 2024-02-29 US disclosed
US-20080237535-A1 Composition for polishing semiconductor wafer, and method of producing the same SPEEDFAM CO., LTD. (JP) 2008-10-02 US disclosed
US-20050147778-A1 Resin composition and multi-layer structures KURARAY CO., LTD. (JP) 2005-07-07 US disclosed
EP-1479725-A1 RESIN COMPOSITION AND MULTI-LAYER STRUCTURES Kuraray Co., Ltd. (JP) 2004-11-24 EP disclosed
US-20040096683-A1 Modified ethylene-vinyl alcohol copolymer and method for the production thereof KURARAY CO., LTD. (JP) 2004-05-20 US disclosed
EP-1403289-A1 MODIFIED ETHYLENE−VINYL ALCOHOL COPOLYMER AND METHOD FOR THE PRODUCTION THEREOF Kuraray Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-0304315-B1 BATH FOR ELECTROLYTIC DEPOSITION OF A GOLD-COPPER-ZINC ALLOY ENGELHARD LIMITED (GB) 1993-03-03 EP disclosed
US-4980035-A Bath for electrolytic deposition of a gold-copper-zinc alloy ENGELHARD CORPORATION (US) 1990-12-25 US disclosed
EP-0304315-A1 Bath for electrolytic deposition of a gold-copper-zinc alloy ENGELHARD LIMITED (GB) 1989-02-22 EP disclosed
EP-0213947-A2 Graft copolymer, process for its production and composition containing it RALSTON PURINA COMPANY (US) 1987-03-11 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 (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-20250107984-A1 Antidandruff Shampoo POLR1C, SMURF1, SMURF2 CA2 3891/4885CA1 3221/4885CA4 3849/4885
US-20250107979-A1 Hair Treatment Compositions Having Anti-Dandruff Action POLR1C, HSD3B1, PIK3C3 CA2 2668/4885CA1 2830/4885CA4 1283/4885

“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.