SCHEMBL3244886

SCHEMBL3244886

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 5/20 0.40
THRA P10827 2/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CYP3A4 P08684 2/20 0.33
CES2 O00748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.32
CTSK P43235 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL31115194 0.98 TSHR (0.44) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL5029215 0.98 TSHR (0.44) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL20026462 0.98 TSHR (0.44) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL2129126 0.95 TSHR (0.47) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL20026693 0.91 TSHR (0.47) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL22403049 0.90 TSHR (0.46) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL20026470 0.90 TSHR (0.46) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL23635383 0.88 TSHR (0.44) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL3248687 0.87 TSHR (0.41) TSHRHPGDTHRBCYP3A4ALDH1A1
SCHEMBL28780914 0.87 TSHR (0.50) TSHRHPGDTHRBTHRAZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932340-B2 Comprises self cleavage type radical-generating part and at least one unsaturated group in one molecule; suppresses volatilization of low molecular weight decomposition materials during radiation and post-baking, leaving no decomposition residues in final product; for use in printing inks, color filters DAI NIPPON PRINTING CO., LTD. (JP) 2011-04-26 US disclosed
US-7745658-B2 Process for preparing tertiary alkyl esters of (meth)acrylic acid having at least 4 carbon atoms in the alkyl radical BASF SE (DE) 2010-06-29 US disclosed
US-20090023947-A1 PROCESS FOR PREPARING TERTIARY ALKYL ESTERS OF (METH) ACRYLIC ACID HAVING AT LEAST 4 CARBON ATOMS IN THE ALKYL RADICAL BASF SE (DE) 2009-01-22 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 (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-20090023947-A1 PROCESS FOR PREPARING TERTIARY ALKYL ESTERS OF (METH) ACRYLIC ACID HAVING AT LEAST 4 CARBON ATOMS IN THE ALKYL RADICAL ACSL3, ACSL1, ACSL4 TSHR 1270/4885HPGD 891/4885THRB 1523/4885

“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.