SCHEMBL17426460

SCHEMBL17426460

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
EGLN1 Q9GZT9 1/20 0.33
ACLY P53396 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL1227419 0.83 ALDH1A1 (0.39) TET2ALDH1A1
SCHEMBL11920344 0.83 ALDH1A1 (0.44) TET2ALDH1A1
SCHEMBL26501514 0.80 TET2 (0.45) TET2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL11032460 0.80 ALDH1A1 (0.44) TET2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL11851950 0.78 TSHR (0.46) TET2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL27856262 0.78 ALDH1A1 (0.42) TET2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL2524423 0.78 TET2 (0.64) TET2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL28159544 0.77 ALDH1A1 (0.41) TET2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL4257393 0.76 TET2 (0.35) TET2
SCHEMBL21373151 0.75 ALDH1A1 (0.39) TET2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907733-B2 Dental compositions comprising addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-06 US disclosed
US-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-14 US disclosed
US-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-14 US disclosed
CN-1389451-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 2003-01-08 CN disclosed
CN-1082965-C Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 2002-04-17 CN disclosed
CN-1138320-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 1996-12-18 CN 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 (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-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS RAD51, TUBA8, ERCC4 TET2 2559/4885ALDH1A1 2749/4885CYP2D6 4400/4885

“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.