SCHEMBL5080032

SCHEMBL5080032

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CYP2D6 P10635 1/20 0.37
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
ALOX12 P18054 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
TAAR1 Q96RJ0 4/20 0.33
SLC6A2 P23975 2/20 0.33
TRPA1 O75762 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 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
SCHEMBL9408948 0.77 TDP1 (0.42) TDP1CYP2D6LMNAL3MBTL1TSHR
SCHEMBL19713142 0.65 CYP2D6 (0.38) CYP2D6LMNAL3MBTL1TSHRALDH1A1
SCHEMBL2980082 0.65 TAAR1 (0.34) TDP1CYP2D6ALDH1A1TAAR1SLC6A2
SCHEMBL2976898 0.65 TSHR (0.39) TDP1LMNATSHRALOX12ALDH1A1
SCHEMBL2166400 0.65 ALDH1A1 (0.35) TDP1LMNATSHRALOX12ALDH1A1
SCHEMBL2968167 0.65
SCHEMBL8524658 0.63 ALDH1A1 (0.40) TDP1LMNATSHRALOX12ALDH1A1
SCHEMBL49939 0.63 ALDH1A1 (0.40) TDP1LMNATSHRALOX12ALDH1A1
Methylamine SCHEMBL9746311 0.63 LMNA (0.37) TDP1CYP2D6LMNATSHRALOX12
Bromide SCHEMBL15772385 0.63 TSHR (0.37) TDP1LMNAL3MBTL1TSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592698-B1 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 EP disclosed
US-7129367-B2 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-31 US disclosed
US-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 US disclosed
EP-1592698-A2 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF Takasago International Corporation (JP) 2005-11-09 EP disclosed
WO-2004072088-A2 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-26 WO disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP 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-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex SQLE, C9, PHOSPHO1 TDP1 3650/4885CYP2D6 1628/4885LMNA 3906/4885

“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.