SCHEMBL1092162

SCHEMBL1092162

CP(=O)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
SLC22A2 O15244 2/20 0.35
LMNA P02545 2/20 0.35
SLC47A1 Q96FL8 2/20 0.35
SLC22A1 O15245 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTT P42858 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
SCHEMBL5736635 0.72 GAA (1.00) GAANPSR1MEN1KMT2AGRIN2D
SCHEMBL2825473 0.72 GAA (0.56) GAANPSR1MEN1KMT2AGRIN2D
SCHEMBL1091418 0.72 GAA (0.56) GAANPSR1MEN1KMT2AGRIN2D
Hydrochloric Acid SCHEMBL2825475 0.70 GAA (0.95) GAANPSR1MEN1KMT2AGRIN2D
SCHEMBL6466244 0.69 GAA (0.65) GAANPSR1MEN1KMT2AGRIN2D
SCHEMBL27847766 0.67 GAA (0.50) GAANPSR1MEN1KMT2AGRIN2D
SCHEMBL23929429 0.65 GAA (0.48) GAANPSR1GRIN2DGRIN3BGRIN1
SCHEMBL19798472 0.64 NPSR1 (0.69) GAANPSR1MEN1KMT2ATSHR
SCHEMBL7824341 0.63 GAA (0.73) GAANPSR1MEN1KMT2ALMNA
Phosphoric Acid SCHEMBL21408297 0.61 GAA (0.56) GAANPSR1MEN1KMT2AGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US disclosed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US disclosed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 US disclosed
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY 2006-12-14 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 (2 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-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids DDT, AHR, DDC GAA 596/4885NPSR1 3230/4885MEN1 3255/4885
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids DDT, AHR, DDC GAA 596/4885NPSR1 3230/4885MEN1 3255/4885

“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.