SCHEMBL4006948

SCHEMBL4006948

C[Zr](C)(=[SiH2])(C1C=Cc2ccccc21)C1C=Cc2ccccc21.Cc1cccc(C)c1O.Cc1cccc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.34
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4007157 0.89 L3MBTL1 (0.31) ALDH1A1KDM4E
Methyl Alcohol SCHEMBL7766797 0.86 HTR2A (0.33) KDM4EHSD17B10
SCHEMBL1704957 0.86 HTR2A (0.35) KDM4EHSD17B10
Bromide SCHEMBL6908313 0.84 HTR2A (0.34) KDM4EHSD17B10
SCHEMBL8754923 0.84 HTR2A (0.34) KDM4EHSD17B10
Fluoride SCHEMBL7640655 0.84 HTR2A (0.34) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL8163839 0.84 HTR2A (0.34) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL271905 0.84 HTR2A (0.34) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL7766826 0.82 HTR2A (0.33) KDM4EHSD17B10
Toluene SCHEMBL7807743 0.81 LMNA (0.37) KDM4E

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 ALDH1A1 888/4885TRPA1 203/4885GABRA1 3737/4885

“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.