SCHEMBL13265142

SCHEMBL13265142

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
TRPA1 O75762 3/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
GAA P10253 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
SCHEMBL30271544 1.00 LMNA (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL3066780 1.00 LMNA (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18287889 0.83 ALDH1A1 (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL8671094 0.83 ALDH1A1 (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4161041 0.82 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4169342 0.82 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4178220 0.82 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL19205698 0.81 TRPA1 (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30271542 0.81 TRPA1 (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5669794 0.81 TRPA1 (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 US disclosed
CN-104262091-A R-1-(2,5-dimethylphenyl)ethanol and synthesis of ester thereof WANG TONGJUN 2015-01-07 CN disclosed
CN-104262091-A R-1-(2,5-dimethylphenyl)ethanol and synthesis of ester thereof WANG TONGJUN 2015-01-07 CN disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO 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 (3 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-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 LMNA 1879/4885TRPA1 1636/4885CHRM1 1300/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 LMNA 1879/4885TRPA1 1636/4885CHRM1 1300/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 LMNA 1879/4885TRPA1 1636/4885CHRM1 1300/4885

“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.