SCHEMBL4178220

SCHEMBL4178220

Cc1ccc(C)c([C@@H](O)C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TRPA1 O75762 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4161041 1.00 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4169342 1.00 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
Alcohol SCHEMBL4169316 0.92 POLB (0.40) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL6055257 0.87 TRPA1 (0.47) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5057097 0.83 ADRA1A (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL7783897 0.83 ADRA1A (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL13265142 0.82 LMNA (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL3066780 0.82 LMNA (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30271544 0.82 LMNA (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL8781949 0.82 BLM (0.44) LMNATRPA1CHRM1SLC6A2ADRA1A

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-20090163601-A1 (R)-2-METHYL-(2,5-DIMETHYLPHENYL)PROPANOL AND (S)-(2-METHYL-2,5-DIMETHYLPHENYL)PROPANOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-25 US claimed
US-20090163601-A1 (R)-2-METHYL-(2,5-DIMETHYLPHENYL)PROPANOL AND (S)-(2-METHYL-2,5-DIMETHYLPHENYL)PROPANOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-25 US disclosed
US-20090163601-A1 (R)-2-METHYL-(2,5-DIMETHYLPHENYL)PROPANOL AND (S)-(2-METHYL-2,5-DIMETHYLPHENYL)PROPANOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-25 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 (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-20090163601-A1 (R)-2-METHYL-(2,5-DIMETHYLPHENYL)PROPANOL AND (S)-(2-METHYL-2,5-DIMETHYLPHENYL)PROPANOL ADRB2, PNMT, DRD4 LMNA 4112/4885TRPA1 3741/4885CHRM1 655/4885

“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.