SCHEMBL4201350

SCHEMBL4201350

CCOC(C)Oc1ccccc1I

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL23906795 0.86 LMNA (0.48) LMNAL3MBTL1ALDH1A1ADRA2AADRA2B
SCHEMBL27818016 0.80 CA1 (0.39) L3MBTL1ALDH1A1ADRA2BKMT2A
SCHEMBL13086759 0.79 CYP1A2 (0.41) LMNAL3MBTL1ALDH1A1ADRA2BKDM4E
SCHEMBL27701197 0.79 CA1 (0.50) LMNAL3MBTL1ALDH1A1ADRA2AADRA2B
SCHEMBL8218163 0.79 ADRA2A (0.48) LMNAL3MBTL1ALDH1A1ADRA2AADRA2B
SCHEMBL20314717 0.78 NISCH (0.42) LMNAL3MBTL1ALDH1A1ADRA2AADRA2B
SCHEMBL2120865 0.78 LMNA (0.39) LMNAL3MBTL1ALDH1A1ADRA2AADRA2B
SCHEMBL20637343 0.78 LMNA (0.39) LMNAL3MBTL1ALDH1A1ADRA2AADRA2B
SCHEMBL11554545 0.78 TSHR (0.45) LMNAALDH1A1KDM4EMAPT
SCHEMBL4188090 0.78 ADRA2A (0.42) LMNAL3MBTL1ALDH1A1ADRA2AADRA2B

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
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 EP 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-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 LMNA 4553/4885L3MBTL1 3243/4885ALDH1A1 4510/4885

“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.