SCHEMBL3241189

SCHEMBL3241189

CC/C(C)=C\C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIK2 Q13002 1/20 0.32
SHBG P04278 1/20 0.31
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
CYP1A2 P05177 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
SCHEMBL3241191 1.00 GRIK1 (0.34) GRIK1ALDH1A1LMNAMAPTHTT
SCHEMBL22993865 0.81 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL15173030 0.81 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL23011121 0.79 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL3248555 0.78 GRIK1 (0.35) GRIK1ALDH1A1LMNAMAPTHTT
SCHEMBL11592206 0.77 SQLE (0.33) GRIK1GRIK2
SCHEMBL11592208 0.77 SQLE (0.33) GRIK1GRIK2
SCHEMBL22993862 0.76 GRIK1 (0.32) GRIK1
SCHEMBL28367538 0.75 GRIK1 (0.33) GRIK1ALDH1A1LMNAMAPTHTT
SCHEMBL607401 0.74 TSHR (0.35) GRIK1GRIK2

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-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-2017255-A1 Method for manufacturing tertiary alkyl esters of (meth) acrylic acid with at least 4 carbon atoms in the alkyl BASF SE (DE) 2009-01-21 EP 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 GRIK1 1618/4885ALDH1A1 74/4885LMNA 4467/4885

“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.