SCHEMBL3248628

SCHEMBL3248628

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
EPHX1 P07099 1/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8733111 0.86 THRA (0.35) THRATHRBMMP1MMP9MMP13
SCHEMBL3242001 0.83 THRB (0.41) THRATHRBMMP1MMP9MMP13
SCHEMBL8733109 0.81 HCAR2 (0.37) THRATHRBGRM2GRM3CTSS
SCHEMBL8733112 0.81 HCAR2 (0.37) THRATHRBGRM2GRM3CTSS
SCHEMBL3241302 0.81 THRB (0.38) THRATHRBGRM2GRM3EPHX1
SCHEMBL12895143 0.79 GAA (0.36) THRATHRBMMP1MMP9MMP13
SCHEMBL28036028 0.79 EPHX1 (0.36) THRATHRBCTSSCTSKKMT2A
SCHEMBL9227258 0.77 ALOX5 (0.39) MMP1MMP9MMP13ADAM17GRM2
SCHEMBL27353237 0.77 GAA (0.38) THRATHRBMMP1MMP9MMP13
SCHEMBL27520063 0.75 ALOX5 (0.37) THRATHRBMMP1MMP9MMP13

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 THRA 347/4885THRB 1523/4885MMP1 4248/4885

“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.