SCHEMBL11920344

SCHEMBL11920344

C=C(CC(C)(C)C(C)=O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TET2 Q6N021 2/20 0.33
GAA P10253 2/20 0.30
MAPT P10636 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 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
SCHEMBL11920345 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1227419 0.83 ALDH1A1 (0.39) ALDH1A1TET2
SCHEMBL17426460 0.83 TET2 (0.41) ALDH1A1TET2
SCHEMBL7128010 0.81 ALDH1A1 (0.46) ALDH1A1TET2GAAMAPTMGAM
SCHEMBL11032460 0.80 ALDH1A1 (0.44) ALDH1A1TET2
SCHEMBL27856262 0.78 ALDH1A1 (0.42) ALDH1A1TET2
SCHEMBL28159544 0.77 ALDH1A1 (0.41) ALDH1A1TET2
SCHEMBL16018846 0.75 ALDH1A1 (0.39) ALDH1A1TET2
SCHEMBL21373151 0.75 ALDH1A1 (0.39) ALDH1A1TET2
SCHEMBL2468506 0.74 ALDH1A1 (0.42) ALDH1A1TET2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed
US-10022306-B2 Dental compositions comprising a fatty mono(meth)acrylate 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-17 US disclosed
US-9907733-B2 Dental compositions comprising addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-06 US disclosed
US-20170210693-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2017-07-27 US disclosed
US-20160361238-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-12-15 US disclosed
US-9433563-B2 Dental compositions comprising a fatty mono(meth)acrylate SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-09-06 US disclosed
US-9403966-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-02 US disclosed
US-9320685-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-04-26 US disclosed
US-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-14 US disclosed
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-08-27 US disclosed
US-20150203658-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-07-23 US disclosed
US-9056043-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-16 US disclosed
US-8980969-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-17 US disclosed
US-20140206788-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-24 US disclosed
US-20120208965-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2012-08-16 US 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 (6 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-20120208965-A1 ADDITION-FRAGMENTATION AGENTS NR4A1, PARP14, MTX1 ALDH1A1 3630/4885TET2 2892/4885GAA 3473/4885
US-20160361238-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE MMAB, ELOVL5, ELOVL1 ALDH1A1 1066/4885TET2 157/4885GAA 4252/4885
US-20170210693-A1 ADDITION-FRAGMENTATION AGENTS NR4A1, PARP14, MTX1 ALDH1A1 3630/4885TET2 2892/4885GAA 3473/4885
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT NR4A1, RXRG, RXRA ALDH1A1 4052/4885TET2 3281/4885GAA 3893/4885
US-10022306-B2 Dental compositions comprising a fatty mono(meth)acrylate MMAB, ELOVL5, ELOVL1 ALDH1A1 1066/4885TET2 157/4885GAA 4252/4885
US-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS RAD51, TUBA8, ERCC4 ALDH1A1 2749/4885TET2 2559/4885GAA 777/4885

“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.