SCHEMBL5550775

SCHEMBL5550775

CC(C)(C)c1c[c][c]c(-c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
KIF11 P52732 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL4648856 0.76 RXRA (0.41) RXRARXRBKIF11MEN1KMT2A
SCHEMBL1371629 0.72 KIF11 (0.38) RXRARXRBKIF11MEN1KMT2A
SCHEMBL7951297 0.70 RXRA (0.37) RXRARXRBKIF11MEN1KMT2A
SCHEMBL9144522 0.69 L3MBTL1 (0.36) RXRARXRBKIF11MEN1KMT2A
SCHEMBL3288860 0.69 KIF11 (0.43) RXRARXRBKIF11MEN1KMT2A
SCHEMBL9598451 0.69 RXRA (0.42) RXRARXRBKIF11NPC1ALDH1A1
SCHEMBL5514313 0.67 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL5873304 0.67 KIF11 (0.44) RXRARXRBKIF11RXRG
SCHEMBL7190249 0.66 ALDH1A1 (0.40) NPC1ALDH1A1RAB9A
SCHEMBL3297509 0.66 MEN1 (0.42) KIF11MEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294729-B2 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-11-13 US claimed
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-03-16 US claimed
EP-1554293-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-07-20 EP claimed
WO-2004035595-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-29 WO claimed
US-7294729-B2 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-11-13 US disclosed
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-03-16 US disclosed
EP-1554293-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-07-20 EP disclosed
WO-2004035595-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-29 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-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes CBR1, CBR3, AR RXRA 564/4885RXRB 438/4885KIF11 4551/4885

“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.