SCHEMBL5080022

SCHEMBL5080022

CCC[Al](CCC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
DRD2 P14416 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNM1 Q05193 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSIP1 O75475 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ESR1 P03372 1/20 0.31
CHRNA7 P36544 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL5082855 0.85 PTGS2 (0.41) TP53SMN1; SMN2SIGMAR1DNM1MEN1
SCHEMBL11575993 0.81 DNM1 (0.44) TP53DRD2SMN1; SMN2DNM1ALDH1A1
SCHEMBL27343184 0.79 TP53 (0.38) TP53DRD2SMN1; SMN2HPGDSIGMAR1
SCHEMBL8618182 0.78 RECQL (0.31)
SCHEMBL148658 0.78 TP53 (0.41) TP53SMN1; SMN2L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL15771447 0.76 TP53 (0.39) TP53SMN1; SMN2L3MBTL1KDM4EALDH1A1
Bromide SCHEMBL15771252 0.76 TP53 (0.39) TP53SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL12481222 0.75 TP53 (0.35) TP53DRD2SIGMAR1DNM1KDM4E
SCHEMBL150733 0.75 TP53 (0.35) TP53DRD2SIGMAR1DNM1KDM4E
SCHEMBL27949753 0.72 TAAR1 (0.34) TP53SMN1; SMN2MAOAMAOB

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 5 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

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 TP53 4306/4885DRD2 31/4885SMN1; SMN2 1885/4885

“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.