SCHEMBL5546207

SCHEMBL5546207

CC(C)(C)c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(C(C)(C)C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRB P28702 7/20 0.53
RXRA P19793 6/20 0.53
RXRG P48443 3/20 0.53
KIF11 P52732 3/20 0.50
ALDH1A1 P00352 1/20 0.45
DHODH Q02127 1/20 0.44
EGFR P00533 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.41

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
SCHEMBL26149393 1.00 RXRB (0.53) RXRBRXRARXRGKIF11ALDH1A1
SCHEMBL30096028 0.98 RXRB (0.57) RXRBRXRARXRGKIF11ALDH1A1
SCHEMBL11646120 0.95 RXRB (0.59) RXRBRXRARXRGKIF11ALDH1A1
SCHEMBL27757672 0.93 RXRB (0.62) RXRBRXRARXRGKIF11ALDH1A1
Bromide SCHEMBL28692201 0.91 RXRB (0.61) RXRBRXRARXRGKIF11DHODH
SCHEMBL26771321 0.88 DHODH (0.54) RXRBRXRARXRGKIF11ALDH1A1
SCHEMBL28102065 0.88 DHODH (0.54) RXRBRXRARXRGKIF11ALDH1A1
SCHEMBL20689903 0.88 KIF11 (0.70) RXRBRXRARXRGKIF11LOXL2
SCHEMBL30864395 0.88 ALDH1A1 (0.58) RXRBRXRARXRGKIF11ALDH1A1
SCHEMBL26179214 0.88 RXRB (0.49) RXRBRXRARXRGKIF11DHODH

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-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
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 RXRB 438/4885RXRA 564/4885RXRG 458/4885

“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.