SCHEMBL2908085

SCHEMBL2908085

NC(CCC(=O)O)(CS(=O)(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 1/20 0.57
ARG1 P05089 7/20 0.33
APEX1 P27695 1/20 0.33
ODC1 P11926 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
ARG2 P78540 5/20 0.31
LMNA P02545 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30

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
SCHEMBL2908082 1.00 MEN1 (0.57) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL20764740 0.82 MEN1 (0.55) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL20764738 0.82 MEN1 (0.55) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9586044 0.80 CYP1A2 (0.74) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL2910118 0.79 ALDH1A1 (0.36) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL2910123 0.79 ALDH1A1 (0.36) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL28246886 0.78 CYP1A2 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL7021651 0.74 CYP1A2 (0.65) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL10453105 0.74 THRB (0.65) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL10453104 0.74 THRB (0.65) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ISP INVESTMENTS LLC (US) 2022-01-18 US claimed
US-20180055048-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP INVESTMENTS LLC (US) 2018-03-01 US claimed
EP-3273937-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP Investments Inc. (US) 2018-01-31 EP claimed
CN-107613954-A Synergistic compositions of dehydroacetic acid and methods of reducing yellowing in various end-use compositions ISP投资有限公司 2018-01-19 CN claimed
WO-2016154511-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP INVESTMENTS INC. (US) 2016-09-29 WO claimed
US-20150327550-A1 ENVIRONMENT-FRIENDLY, BIODEGRADABLE, VOC-FREE, NON-CORROSIVE AQUEOUS SOLUTION OF 1, 2-BENZISOTHIAZOLIN-3-ONE (BIT) AND PROCESS FOR PREPARING THE SAME ISP INVESTMENTS INC. (US) 2015-11-19 US claimed
WO-2014088806-A1 AN ENVIRONMENT-FRIENDLY, BIODEGRADABLE, VOC-FREE, NON-CORROSIVE AQUEOUS SOLUTION OF 1, 2-BENZISOTHIAZOLIN-3-ONE (BIT) AND PROCESS FOR PREPARING THE SAME ISP INVESTMENTS INC. (US) 2014-06-12 WO claimed
US-20020039980-A1 Chelating agent and detergent comprising the same MITSUBISHI RAYON CO., LTD. 2002-04-04 US claimed
US-20010034318-A1 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD (NAME CHANGED TO MITSUBISHI RAYON CO., LTD.) 2001-10-25 US claimed
EP-0783034-A2 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-07-09 EP claimed
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ISP INVESTMENTS LLC (US) 2022-01-18 US disclosed
CN-107613954-B Synergistic compositions of dehydroacetic acid and methods of reducing yellowing in various end-use compositions ISP投资有限公司 2021-10-19 CN disclosed
EP-3673056-A1 DETERGENT COMPOSITIONS COMPRISING GH9 ENDOGLUCANASE VARIANTS II Henkel AG & Co. KGaA (DE) 2020-07-01 EP disclosed
WO-2019038059-A1 DETERGENT COMPOSITIONS COMPRISING GH9 ENDOGLUCANASE VARIANTS II HENKEL AG & CO. KGAA (DE) 2019-02-28 WO disclosed
US-20180055048-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP INVESTMENTS LLC (US) 2018-03-01 US disclosed
US-6426229-B1 ASPARTIC, MALEIC, ACRYLIC, MALIC, GLYCINE, GLYCOLIC,IMINODIACETIC, NITRILOTRIACETIC,BETA-ALANINE, IMINODIPROPIONIC, AND FUMARIC ACIDS, SYNTHETIC STARTING AND INTERMEDIATE AMINO ACIDS; BIODEGRADAABLE MITSUBISHI RAYON CO., LTD. (JP) 2002-07-30 US disclosed
US-20020039980-A1 Chelating agent and detergent comprising the same MITSUBISHI RAYON CO., LTD. 2002-04-04 US disclosed
US-20010034318-A1 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD (NAME CHANGED TO MITSUBISHI RAYON CO., LTD.) 2001-10-25 US disclosed
US-6221834-B1 (S)-ASPARTIC ACID-N,N-DIACETIC ACID (ASDA) OR ALKALI METAL SALTS OR AMMONIA SALTS THEREOF AND (II) ASPARTIC ACID, MALIC ACID, IMINODIACETIC ACID (IDA), NITRILOTRIACETIC ACID (NTA) OR FUMARIC ACID MITSUBISHI RAYON CO., LTD. (JP) 2001-04-24 US disclosed
EP-0783034-A2 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-07-09 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-20180055048-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ALAD, SCD, DHCR7 MEN1 3671/4885ALDH1A1 92/4885CYP1A2 264/4885
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ALAD, SCD, DHCR7 MEN1 3671/4885ALDH1A1 92/4885CYP1A2 264/4885

“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.