SCHEMBL4161045

SCHEMBL4161045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TNF P01375 1/20 0.36
POLB P06746 1/20 0.36
AMY1A P0DUB6 1/20 0.35
TACR1 P25103 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4169345 1.00 TAAR1 (0.46) TAAR1NR3C1NR3C2TSHRNPC1
SCHEMBL4178223 1.00 TAAR1 (0.46) TAAR1NR3C1NR3C2TSHRNPC1
SCHEMBL23049820 0.82 NR3C1 (0.48) TAAR1NR3C1NR3C2TSHRNPC1
SCHEMBL5026910 0.79 TAAR1 (0.52) TAAR1NR3C1NR3C2TSHRNPC1
SCHEMBL5696571 0.79 TAAR1 (0.48) TAAR1NR3C1NR3C2TSHRNPC1
SCHEMBL9116596 0.79 ACHE (0.46) ALDH1A1CYP3A4
SCHEMBL15840454 0.78 ALOX15 (0.41) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL20651209 0.78 TAAR1 (0.43) TAAR1NR3C1NR3C2TSHRNPC1
SCHEMBL21131786 0.78 TAAR1 (0.43) TAAR1NR3C1NR3C2TSHRNPC1
SCHEMBL21131600 0.76 TAAR1 (0.39) TAAR1NR3C1NR3C2TSHRNPC1

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 TAAR1 1746/4885NR3C1 444/4885NR3C2 27/4885

“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.