SCHEMBL3241302

SCHEMBL3241302

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
THRA P10827 1/20 0.38
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
HSD11B1 P28845 1/20 0.31
EPHX1 P07099 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL3242001 0.83 THRB (0.41) THRBTHRAHPGDTSHRCYP1A2
SCHEMBL3248628 0.81 THRA (0.44) THRBTHRAHPGDTSHRGRM2
SCHEMBL16543395 0.78 ALDH1A1 (0.33) THRBTSHRCYP1A2GRM2GRM3
SCHEMBL17545782 0.78 EPHX1 (0.34) HPGDCYP1A2GRM2GRM3HSD11B1
SCHEMBL1108022 0.77 THRB (0.44) THRBTHRAHPGDTSHRALDH1A1
SCHEMBL16682453 0.76 FKBP1A (0.39) CYP1A2GRM2GRM3HSD11B1EPHX1
SCHEMBL28036028 0.76 EPHX1 (0.36) THRBTHRAHPGDTSHRCYP1A2
Ammonia Solution, Strong SCHEMBL7209197 0.75 THRB (0.43) THRBHPGDTSHRALDH1A1
SCHEMBL26179016 0.75 EPHX1 (0.33) CYP1A2GRM2GRM3HSD11B1EPHX1
SCHEMBL20579982 0.75 LMNA (0.33) THRB

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 347/4885HPGD 891/4885

“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.