SCHEMBL3242001

SCHEMBL3242001

C=CC(=O)OC(C)(CC)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
TSHR P16473 2/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
HPGD P15428 1/20 0.31
BCHE P06276 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
HSD11B1 P28845 1/20 0.31
FKBP1A P62942 2/20 0.30
CTSK P43235 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3241302 0.83 THRB (0.38) THRBTHRATSHRHPGDCYP1A2
SCHEMBL3248628 0.83 THRA (0.44) THRBTHRATSHRMMP1MMP9
SCHEMBL28036028 0.78 EPHX1 (0.36) THRBTHRATSHRHPGDCYP1A2
SCHEMBL1108008 0.78 TSHR (0.43) THRBTSHRHPGDCYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL6720468 0.76 TSHR (0.42) THRBTSHRHPGDCYP1A2ALDH1A1
SCHEMBL676350 0.74 EPHX1 (0.33) THRBTHRA
SCHEMBL14509314 0.74 THRB (0.38) THRBTSHRHPGDALDH1A1
SCHEMBL20579982 0.74 LMNA (0.33) THRB
SCHEMBL8408097 0.73 THRB (0.35) THRBTHRATSHRHPGDALDH1A1
SCHEMBL9610295 0.72 THRA (0.33) THRBTHRATSHR

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 THRB 1523/4885THRA 347/4885TSHR 1270/4885

“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.