SCHEMBL3801165

SCHEMBL3801165

CC(C)(O)CON1C(C)(C)CC(OC(=O)CC(O)(CC(=O)O)C(=O)O)CC1(C)C.[KH].[KH]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 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
SCHEMBL3797435 0.99 ALDH1A1 (0.36) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL3803300 0.95 TSHR (0.34) ALDH1A1TSHRKMT2A
SCHEMBL4710333 0.94 TSHR (0.33) ALDH1A1TSHRKMT2A
SCHEMBL10078451 0.87 TSHR (0.31) ALDH1A1TSHRKMT2A
SCHEMBL3799938 0.85 TSHR (0.32) ALDH1A1TSHRKMT2A
Citric Acid SCHEMBL3797437 0.84 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL3803295 0.84 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL3797431 0.84 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL5646805 0.82 KMT2A (0.34) ALDH1A1TSHRMAPTKMT2A
SCHEMBL986836 0.81 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216596-B2 4-Hydroxy-1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidine, citric acid and a body care product; hindered amine salt compounds provide outstanding protection against light-induced fading BASF SE (DE) 2012-07-10 US claimed
US-20060262149-A1 Ink jet ink and recording material WOOD MERVIN G 2006-11-23 US claimed
WO-2006122888-A1 INK JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-23 WO claimed
US-20060264345-A1 Stabilized body care products, household products, textiles and fabrics BASF SE (DE) 2006-11-23 US claimed
US-8216596-B2 4-Hydroxy-1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidine, citric acid and a body care product; hindered amine salt compounds provide outstanding protection against light-induced fading BASF SE (DE) 2012-07-10 US disclosed
EP-2207522-A2 BODY-CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS COMPRISING SPECIFIC SULFUR-CONTAINING COMPOUNDS BASF SE (DE) 2010-07-21 EP disclosed
WO-2009047150-A2 BODY-CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS COMPRISING SPECIFIC SULFUR-CONTAINING COMPOUNDS BASF SE (CH) 2009-04-16 WO disclosed
US-20090092561-A1 Body-care and household products and compositions comprising specific sulfur-containing compounds BASF SE (DE) 2009-04-09 US disclosed
EP-1893169-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CONTAINING STERICALLY HINDERED AMINE SALT COMPOUND Ciba Specialty Chemicals Holding Inc. (CH) 2008-03-05 EP disclosed
US-20060262149-A1 Ink jet ink and recording material WOOD MERVIN G 2006-11-23 US disclosed
US-20060264345-A1 Stabilized body care products, household products, textiles and fabrics BASF SE (DE) 2006-11-23 US disclosed
WO-2006122888-A1 INK JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-23 WO disclosed
WO-2006122889-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CONTAINING STERICALLY HINDERED AMINE SALT COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-23 WO 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-20060264345-A1 Stabilized body care products, household products, textiles and fabrics DSC1, CUTA, DSG1 ALDH1A1 1194/4885TSHR 1283/4885KDM4E 1172/4885
US-20090092561-A1 Body-care and household products and compositions comprising specific sulfur-containing compounds DSC1, SCLY, DSG1 ALDH1A1 1171/4885TSHR 2447/4885KDM4E 2059/4885

“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.