SCHEMBL987393

SCHEMBL987393

COCC(O)COC1CC(C)(C)N(OC(C)=O)C(C)(C)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 3/20 0.34
GAA P10253 1/20 0.34

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
Bicarbonate SCHEMBL3798404 0.86 KMT2A (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL17350835 0.85 MEN1 (0.32) KMT2AMEN1
SCHEMBL6407631 0.84 TSHR (0.44) TSHRKMT2AALDH1A1ESR1HSD17B10
Acetic Acid SCHEMBL986805 0.83 KMT2A (0.34) TSHRKMT2AMEN1
Acetic Acid SCHEMBL987391 0.83 KMT2A (0.34) TSHRKMT2AMEN1GAA
Glycolic Acid SCHEMBL3797479 0.82 KMT2A (0.33) TSHRKMT2AMEN1
Bicarbonate SCHEMBL3798743 0.82 KMT2A (0.33) TSHRKMT2AMEN1
SCHEMBL10299821 0.80 MEN1 (0.33) KMT2AMEN1
SCHEMBL987956 0.80 MEN1 (0.33) KMT2AMEN1GAA
SCHEMBL987130 0.77 TSHR (0.50) TSHRKMT2AALDH1A1ESR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358195-B2 Stabilized body care products, household products, textiles and fabrics BASF SE (DE) 2016-06-07 US claimed
EP-2464739-B1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2016-01-13 EP claimed
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US claimed
US-20140287250-A1 COLOR STABILIZATION OF CORK AND COLORED WOODS BY THE COMBINED USE OF INORGANIC AND ORGANIC UV-ABSORBERS BASF SE (DE) 2014-09-25 US claimed
EP-1896550-B1 STABILIZED ELECTROCHROMIC MEDIA BASF SE (DE) 2013-08-14 EP claimed
US-20120328893-A1 COLOR STABILIZATION OF CORK AND COLORED WOODS BY THE COMBINED USE OF INORGANIC AND ORGANIC UV-ABSORBERS SCHALLER CHRISTIAN MARCUS (CH) 2012-12-27 US claimed
EP-1680541-B1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS BASF SE (DE) 2012-12-19 EP claimed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 US claimed
EP-2464739-A2 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-20 EP claimed
WO-2011018472-A2 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2011-02-17 WO claimed
US-6653324-B1 Impregnating with sterically hindered amine N-oxyl or N-hydroxyl; protecting against light-induced degradation CIBA SPECIALTY CHEMICALS CORPORATION 2003-11-25 US claimed
EP-0943665-B1 Stabilization of wood substrates CIBA SC HOLDING AG (CH) 2003-11-05 EP claimed
US-20020124980-A1 Inhibition of pulp and paper yellowing using nitroxides, hydroxylamines and other coadditives SELTZER RAYMOND R (US) 2002-09-12 US claimed
EP-1207984-A1 STABILIZATION OF WOOD SUBSTRATES Ciba SC Holding AG (CH) 2002-05-29 EP claimed
US-6254724-B1 STABILIZING AMOUNT OF A HINDERED AMINE COMPOUND SELECTED DERIVATIVES OF 1-OXYL-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL OR WHICH ARE THEIR HYDROXYLAMINE SALTS CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-03 US claimed
WO-2001017738-A1 STABILIZATION OF WOOD SUBSTRATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-15 WO claimed
US-6187387-B1 PROTECTING WOOD AGAINST LIGHT-INDUCED DEGRADATION BY TREATMENT WITH STAIN OR IMPREGNATION WHICH PENETRATES SURFACE OF WOOD COMPRISING HINDETED AMINE COMPOUND AND SOLVENT CIBA SPECIALTY CHEMICALS CORPORATION 2001-02-13 US claimed
EP-1000032-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES Ciba SC Holding AG (CH) 2000-05-17 EP claimed
EP-0943665-A1 Stabilization of wood substrates Ciba SC Holding AG (CH) 1999-09-22 EP claimed
WO-1999005108-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-02-04 WO claimed

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-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 TSHR 4798/4885KMT2A 958/4885ALDH1A1 152/4885

“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.