SCHEMBL3081525

SCHEMBL3081525

CCc1cc(C)ccc1C(CC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRC P12931 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.37
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL2167808 0.89 CYP1A2 (0.41) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL2687513 0.86 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL28732227 0.84 SRC (0.38) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL510121 0.83 SRC (0.48) TAS1R3TAS1R1TAS1R2SRCAKR1C3
SCHEMBL1475963 0.83 ALDH1A1 (0.40) SMN1; SMN2HPGDALDH1A1ESR1ESR2
SCHEMBL10174511 0.83 SMN1; SMN2 (0.44) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL3001752 0.81 CYP1A2 (0.41) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL466416 0.81 SRC (0.39) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL7970653 0.76 SMN1; SMN2 (0.46) CYP2C9L3MBTL1GAARECQLSMN1; SMN2
SCHEMBL1476384 0.75 L3MBTL1 (0.57) L3MBTL1GAARECQLSMN1; SMN2ALDH1A1

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-8383853-B2 Method for preparing 2,6-diethyl-4-methylphenylacetic acid BAYER CROPSCIENCE AG (DE) 2013-02-26 US disclosed
US-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid BAYER CROPSCIENCE AG (DE) 2010-10-14 US disclosed
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-12-25 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 (2 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-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid DDT, TET1, DDC TAS1R3 4320/4885TAS1R1 4391/4885TAS1R2 4084/4885
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives DDT, TET1, TET3 TAS1R3 3742/4885TAS1R1 3609/4885TAS1R2 3291/4885

“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.