SCHEMBL3247446

SCHEMBL3247446

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.48
HPGD P15428 1/20 0.48
THRB P10828 6/20 0.38
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 2/20 0.35
THRA P10827 3/20 0.35
ATM Q13315 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HCAR2 Q8TDS4 2/20 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
SCHEMBL3247328 0.95 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL8925191 0.93 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27651693 0.91 TSHR (0.44) TSHRHPGDTHRBALDH1A1CYP3A4
Acrylic Acid SCHEMBL28979884 0.90 TSHR (0.43) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL6046880 0.89 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL31300058 0.89 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL3247427 0.89 TSHR (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL15572265 0.89 TSHR (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL31115218 0.88 TSHR (0.44) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL11032304 0.87 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1558654-A4 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF FUJIFILM ELECTRONIC MATERIALS (US) 2006-04-05 EP disclosed
EP-1558654-A2 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF Fujifilm Electronic Materials USA, Inc. (US) 2005-08-03 EP disclosed
WO-2004040371-A2 NOVEL COPOLYMER AND PHOTORESIST COMPOSITIONS THEREOF ARCH SPECIALTY CHEMICALS, INC. (US) 2004-05-13 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 (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.