SCHEMBL986872

SCHEMBL986872

CC(=O)ON1C(C)(C)CCCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL9791511 0.98 TSHR (0.41) TSHRNFKB1CYP2C19KMT2AALDH1A1
SCHEMBL1931455 0.86 TSHR (0.35) TSHRNFKB1CYP2C19ALDH1A1ESR1
SCHEMBL9865161 0.82 TSHR (0.44) TSHRNFKB1CYP2C19KMT2AGAA
SCHEMBL7743476 0.80 TSHR (0.38) TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11093396 0.80 TSHR (0.38) TSHRNFKB1CYP2C19GAA
SCHEMBL226077 0.79 ALDH1A1 (0.37) TSHRNFKB1CYP2C19KMT2AALDH1A1
SCHEMBL6013597 0.78 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL195275 0.78 TSHR (0.37) TSHRNFKB1CYP2C19KMT2AMEN1
SCHEMBL8308600 0.78 TSHR (0.37) TSHRNFKB1CYP2C19KMT2AMEN1
SCHEMBL6013599 0.78 TSHR (0.37) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753649-B1 POLYMERIZABLE COMPOSITIONS CONTAINING (METH)ACRYLATE MONOMERS HAVING SULFIDE LINKAGES PPG IND OHIO INC (US) 2022-03-09 EP claimed
EP-3957661-A1 POLYMERIZABLE COMPOSITIONS CONTAINING (METH)ACRYLATE MONOMERS HAVING SULFIDE LINKAGES PPG Industries Ohio, Inc. (US) 2022-02-23 EP claimed
EP-3838935-A2 POLYMERIZABLE COMPOSITIONS CONTAINING (METH)ACRYLATE MONOMERS HAVING SULFIDE LINKAGES PPG Industries Ohio, Inc. (US) 2021-06-23 EP claimed
US-9334345-B2 Polymerizable compositions containing (meth)acrylate monomers having sulfide linkages PPG INDUSTRIES OHIO, INC. (US) 2016-05-10 US claimed
US-20130082220-A1 POLYMERIZABLE COMPOSITIONS CONTAINING (METH)ACRYLATE MONOMERS HAVING SULFIDE LINKAGES PPG INDUSTRIES OHIO, INC. (US) 2013-04-04 US claimed
WO-2013036774-A1 POLYMERIZABLE COMPOSITIONS CONTAINING (METH)ACRYLATE MONOMERS HAVING SULFIDE LINKAGES PPG INDUSTRIES OHIO, INC. (US) 2013-03-14 WO claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO claimed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US claimed
US-12619116-B2 Electrochromic devices including polymers having residues of ((meth)acrylate-amine cation bis(substituted-sulfonyl)imide anion)) monomer VITRO FLAT GLASS LLC (US) 2026-05-05 US disclosed
EP-4077464-B1 FREE RADICAL POLYMERIZABLE ADHESION-PROMOTING INTERLAYER COMPOSITIONS AND METHODS OF USE PRC DESOTO INT INC (US) 2026-04-29 EP disclosed
EP-3898734-B1 HIGH REFRACTIVE INDEX COMPOSITIONS AND USES THEREOF PPG IND OHIO INC (US) 2026-02-04 EP disclosed
EP-4679143-A2 HIGH REFRACTIVE INDEX COMPOSITIONS AND USES THEREOF PPG Industries Ohio, Inc. (US) 2026-01-14 EP disclosed
US-12503544-B2 Elastomeric compositions and methods of use PPG INDUSTRIES OHIO, INC. (US) 2025-12-23 US disclosed
US-20130085162-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-04-04 US disclosed
WO-2013036774-A1 POLYMERIZABLE COMPOSITIONS CONTAINING (METH)ACRYLATE MONOMERS HAVING SULFIDE LINKAGES PPG INDUSTRIES OHIO, INC. (US) 2013-03-14 WO disclosed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US disclosed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US disclosed
WO-1992001673-A1 SYNTHESIS AND USES OF SPIN LABELLED RIBONUCLEOSIDES AND RIBONUCLEOTIDES MEDICAL RESEARCH COUNCIL (GB) 1992-02-06 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 (3 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-12619116-B2 Electrochromic devices including polymers having residues of ((meth)acrylate-amine cation bis(substituted-sulfonyl)imide anion)) monomer GRIN2D, GRM2, MECP2 TSHR 735/4885NFKB1 4684/4885CYP2C19 2713/4885
US-20130082220-A1 POLYMERIZABLE COMPOSITIONS CONTAINING (METH)ACRYLATE MONOMERS HAVING SULFIDE LINKAGES MTR, CBS, BHMT2 TSHR 3903/4885NFKB1 4072/4885CYP2C19 2014/4885
US-20130085162-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF RORB, RORA, RORC TSHR 102/4885NFKB1 1171/4885CYP2C19 2044/4885

“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.