SCHEMBL3247274

SCHEMBL3247274

C=CC(=O)OC(CC)(CC)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
THRB P10828 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
RECQL P46063 1/20 0.38
MMP8 P22894 1/20 0.38
THRA P10827 2/20 0.37
RIPK1 Q13546 3/20 0.36
KCNH2 Q12809 2/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
MRGPRX2 Q96LB1 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL3248877 0.83 CYP2C19 (0.50) CTSKCTSLCTSBALDH1A1CYP3A4
SCHEMBL3248705 0.81 CYP3A4 (0.54) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28464666 0.79 CYP2C9 (0.53) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL18546114 0.79 CYP3A4 (0.53) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8982100 0.79 THRB (0.51) ALDH1A1THRBSMN1; SMN2RECQLTHRA
SCHEMBL961692 0.79 CYP2C9 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL1108022 0.77 THRB (0.44) ALDH1A1CYP3A4THRBSMN1; SMN2HIF1A
SCHEMBL9819130 0.77 CYP3A4 (0.50) CTSKCTSLCTSBALDH1A1CYP3A4
SCHEMBL10438842 0.76 CTSK (0.51) CTSKCTSLCTSBALDH1A1CYP3A4
SCHEMBL28887228 0.76 THRB (0.51) CTSKCTSLCTSBALDH1A1CYP3A4

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 2 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

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 CTSK 4167/4885CTSL 1431/4885CTSB 3766/4885

“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.