SCHEMBL4004136

SCHEMBL4004136

CC1=Cc2ccccc2C1[Zr](C)(C)(=[SiH2])C1C(C)=Cc2ccccc21.Cc1cc(C)c(O)c(C)c1.Cc1cc(C)c(O)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX5 P09917 2/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
G6PD P11413 1/20 0.31
KMT2A Q03164 1/20 0.31
TTR P02766 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4005652 0.89 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL4000623 0.87 TTR (0.31) ALOX5PTGS1PTGS2TTR
Hydrochloric Acid SCHEMBL6039930 0.85 TP53 (0.44) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL3997062 0.85 TTR (0.32) ALOX5PTGS1PTGS2TTR
SCHEMBL3676718 0.85
Bromide SCHEMBL3692861 0.83
Hydrochloric Acid SCHEMBL272233 0.83
Hydrochloric Acid SCHEMBL3692808 0.83
Phenol SCHEMBL7588785 0.82 CA12 (0.34) LMNA
Phenol SCHEMBL7587049 0.81 CA12 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556417-B1 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS BASELL POLYOLEFINE GMBH (DE) 2009-06-10 EP disclosed
US-7358381-B2 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands BASELL POLYOLEFINE GMBH (DE) 2008-04-15 US disclosed
US-20060111527-A1 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands EQUISTAR CHEMICALS, LP 2006-05-25 US disclosed
EP-1556417-A2 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS Basell Polyolefine GmbH (DE) 2005-07-27 EP disclosed
WO-2004037834-A2 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS BASELL POLYOLEFINE GMBH (DE) 2004-05-06 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-20060111527-A1 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands ITPA, IMPA1, INTS9 L3MBTL1 3966/4885ALDH1A1 888/4885ALOX5 110/4885

“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.