SCHEMBL4194891

SCHEMBL4194891

CCOC(C)Oc1cccc(I)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
IDO1 P14902 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32

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
SCHEMBL20885297 0.87 LMNA (0.44) LMNATP53CYP3A4TSHRALDH1A1
SCHEMBL544377 0.81 MTNR1A (0.49) LMNATSHRALDH1A1MTNR1AMTNR1B
SCHEMBL16981249 0.81 ACHE (0.47) LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL23975529 0.79 CYP3A4 (0.47) LMNACYP3A4ALDH1A1APP
SCHEMBL4195169 0.79 KDM4E (0.44) LMNAKMT2AALDH1A1KDM4E
SCHEMBL20326080 0.79 MAPK1 (0.48) LMNASLC6A2SLC6A4TSHRALDH1A1
SCHEMBL4192025 0.79 OGG1 (0.49) SLC6A4KMT2AALDH1A1KDM4E
SCHEMBL20314712 0.79 KDM4E (0.49) LMNAHDAC2TP53CYP3A4MEN1
SCHEMBL28453841 0.79 HPGD (0.44) LMNASLC6A4MEN1KMT2APPARG
SCHEMBL21828862 0.79 KMT2A (0.56) TP53KMT2ASMN1; SMN2

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 4553/4885SLC6A2 1275/4885SLC6A4 1248/4885

“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.