SCHEMBL5078073

SCHEMBL5078073

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)(=[SiH2])C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21.Cc1cccc(C)c1O.Cc1cccc(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL3999593 0.93 PTGS1 (0.33) KDM4EMAPTPTGS1PTGS2
SCHEMBL7188586 0.91 SLC6A4 (0.33) ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL273189 0.90 SLC6A4 (0.33)
Hydrochloric Acid SCHEMBL3401092 0.87 DRD2 (0.30)
SCHEMBL4000317 0.87 ALDH1A1 (0.33) ALDH1A1CYP2A6KDM4EMAPTPTGS1
SCHEMBL4002684 0.86 PDCD1 (0.33) ALDH1A1
SCHEMBL5582114 0.82 SLC6A4 (0.34)
Hydrochloric Acid SCHEMBL272443 0.81 SLC6A4 (0.34)
Hydrochloric Acid SCHEMBL1024023 0.80
SCHEMBL4006349 0.80 PTGS1 (0.35) ALDH1A1CYP2A6KDM4EMAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 888/4885CYP2A6 1577/4885KDM4E 4291/4885

“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.