SCHEMBL4008013

SCHEMBL4008013

CCC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)(=[SiH2])C1C(CC)=Cc2c(-c3ccccc3)cccc21.Cc1cc(C)c(O)c(C)c1.Cc1cc(C)c(O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4002684 0.92 PDCD1 (0.33) PDCD1CD274ALDH1A1
SCHEMBL4000520 0.90
SCHEMBL7047718 0.88 PDCD1 (0.30) PDCD1CD274
SCHEMBL3999682 0.87 ALDH1A1 (0.32) PDCD1CD274ALDH1A1L3MBTL1
SCHEMBL3999593 0.87 PTGS1 (0.33)
Hydrochloric Acid SCHEMBL272677 0.86
Fluoride SCHEMBL7637307 0.86
SCHEMBL3999853 0.82 PDCD1 (0.31) PDCD1CD274
Hydrochloric Acid SCHEMBL6065714 0.82
SCHEMBL4006290 0.82 FAAH (0.31)

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 3 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

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 PDCD1 411/4885CD274 88/4885ALDH1A1 888/4885

“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.