SCHEMBL17565792

SCHEMBL17565792

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.36
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
SOAT1 P35610 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
SCHEMBL9267334 0.85 FFAR3 (0.40) FFAR3ALDH1A1TDP1TSHRCES2
SCHEMBL9268644 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL108375 0.73
SCHEMBL11654422 0.71 ALDH1A1 (0.32) FFAR3ALDH1A1TDP1TSHRSOAT1
SCHEMBL5902788 0.71 CYP2C9 (0.35) FFAR3ALDH1A1TDP1TSHR
SCHEMBL9513753 0.71
SCHEMBL9513754 0.71
SCHEMBL811235 0.71
SCHEMBL811234 0.71
SCHEMBL11659065 0.69 SOAT1 (0.35) FFAR3ALDH1A1TDP1SOAT1

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-9890227-B1 Compositions containing 1,1-di-substituted alkene compounds for preparing polymers having enhanced glass transition temperatures SIRRUS, INC. (US) 2018-02-13 US disclosed
US-20180037681-A1 COMPOSITIONS CONTAINING 1,1-DI-SUBSTITUTED ALKENE COMPOUNDS FOR PREPARING POLYMERS HAVING ENHANCED GLASS TRANSITION TEMPERATURES NIPPON SHOKUBAI CO., LTD. (JP) 2018-02-08 US disclosed
US-9790295-B2 Compositions containing 1,1-disubstituted alkene compounds for preparing polymers having enhanced glass transition temperatures SIRRUS, INC. (US) 2017-10-17 US disclosed
US-20160215078-A1 COMPOSITIONS CONTAINING 1,1-DISUBSTITUTED ALKENE COMPOUNDS FOR PREPARING POLYMERS HAVING ENHANCED GLASS TRANSITION TEMPERATURES SIRRUS, INC. 2016-07-28 US disclosed
US-9315597-B2 Compositions containing 1,1-disubstituted alkene compounds for preparing polymers having enhanced glass transition temperatures SIRRUS, INC. (US) 2016-04-19 US disclosed
US-20160068621-A1 COMPOSITIONS CONTAINING 1,1-DISUBSTITUTED ALKENE COMPOUNDS FOR PREPARING POLYMERS HAVING ENHANCED GLASS TRANSITION TEMPERATURES NIPPON SHOKUBAI CO., LTD. (JP) 2016-03-10 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 (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-20180037681-A1 COMPOSITIONS CONTAINING 1,1-DI-SUBSTITUTED ALKENE COMPOUNDS FOR PREPARING POLYMERS HAVING ENHANCED GLASS TRANSITION TEMPERATURES GMNN, DAD1, MAGT1 FFAR3 4242/4885ALDH1A1 1503/4885TDP1 74/4885
US-20160215078-A1 COMPOSITIONS CONTAINING 1,1-DISUBSTITUTED ALKENE COMPOUNDS FOR PREPARING POLYMERS HAVING ENHANCED GLASS TRANSITION TEMPERATURES GMNN, PAG1, SMG1 FFAR3 4344/4885ALDH1A1 1506/4885TDP1 106/4885

“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.