SCHEMBL13044015

SCHEMBL13044015

CCCCOc1c(-c2ccccc2)cc(C(C)(C)C)cc1-c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
KDM4E B2RXH2 1/20 0.37
SOAT1 P35610 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL13043652 0.87 CNR1 (0.39) RXRARXRBRXRGALDH1A1PTGDR2
SCHEMBL13044012 0.81 THRA (0.42) RXRARXRBRXRGPTGDR2SOAT1
SCHEMBL12646857 0.77 ALDH1A1 (0.46) ALDH1A1HPGDBCL2L1HSD17B10CNR2
SCHEMBL27560312 0.76 ALDH1A1 (0.48) ALDH1A1HPGDBCL2L1HSD17B10KDM4E
SCHEMBL9713616 0.73 ESR1 (0.46) ALDH1A1PTGDR2CNR1CNR2KDM4E
SCHEMBL27936087 0.73 SOAT1 (0.49) ALDH1A1HPGDBCL2L1HSD17B10CNR2
SCHEMBL13508915 0.72 MGAM (0.39) HPGDKDM4ELMNATDP1MEN1
SCHEMBL26612973 0.72 ALDH1A1 (0.44) ALDH1A1PTGDR2CNR1CNR2KDM4E
SCHEMBL28897333 0.72 SOAT1 (0.51) ALDH1A1HPGDBCL2L1HSD17B10CNR2
2-Phenylphenol SCHEMBL28343088 0.71 ALDH1A1 (0.71) ALDH1A1HPGDBCL2L1HSD17B10CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501840-B1 BRIDGED BI-AROMATIC LIGANDS, COMPLEXES, CATALYSTS, PROCESSES FOR POLYMERIZING AND POLYMERS THEREFROM SYMYX SOLUTIONS INC (US) 2010-12-22 EP disclosed
US-7659415-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX SOLUTIONS, INC. (US) 2010-02-09 US disclosed
US-20080269470-A1 Bridged Bi-Aromatic Ligands, Catalysts, Processes For Polymerizing And Polymers Therefrom SYMYX TECHNOLOGIES, INC. (US) 2008-10-30 US disclosed
US-7241715-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX TECHNOLOGIES, INC. (US) 2007-07-10 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-20080269470-A1 Bridged Bi-Aromatic Ligands, Catalysts, Processes For Polymerizing And Polymers Therefrom WEE1, WASF2, WEE2 RXRA 1054/4885RXRB 1381/4885RXRG 957/4885

“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.