SCHEMBL5077874

SCHEMBL5077874

CC(C[Al](CC(C)C(C)c1ccccc1)CC(C)C(C)c1ccccc1)C(C)c1ccccc1.CC(C[Al](CC(C)[Si](C)(C)C)CC(C)[Si](C)(C)C)[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.33
CACNA2D1 P54289 1/20 0.32
CACNB2 Q08289 1/20 0.32
CACNA1C Q13936 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
AOC3 Q16853 2/20 0.31
TRPA1 O75762 2/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL335892 0.87 TAAR1 (0.41) TAAR1HTR2AHRH1AOC3TRPA1
SCHEMBL335258 0.72
SCHEMBL6546282 0.67 CYP2D6 (0.59) TAAR1CACNA1CHTR2AHRH1TRPA1
SCHEMBL335854 0.67 LMNA (0.42) TAAR1HTR2AHRH1AOC3TRPA1
SCHEMBL3627329 0.66 LMNA (0.50) TAAR1HTR2AHRH1AOC3TRPA1
SCHEMBL335496 0.66 TAAR1 (0.56) TAAR1HTR2AHRH1AOC3TRPA1
SCHEMBL9555071 0.65 TAAR1 (0.43) TAAR1HTR2AHRH1AOC3TRPA1
SCHEMBL14258186 0.65 TAAR1 (0.60) TAAR1HTR2AHRH1AOC3
SCHEMBL8127199 0.65 AOC3 (0.43) TAAR1HTR2AHRH1AOC3TRPA1
SCHEMBL7537440 0.65 TAAR1 (0.43) TAAR1HTR2AHRH1AOC3TRPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom BASELL POLYOLEFINE GMBH (DE) 2008-06-12 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-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom CHRM1, B2M, CHRM2 TAAR1 586/4885CACNA2D1 3156/4885CACNB2 3056/4885

“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.