SCHEMBL4465897

SCHEMBL4465897

CC1=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc2C1[Zr](Cl)(Cl)(C1C(C2CCCC2)=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc21)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 1/20 0.35
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL4469689 1.00 S1PR1 (0.35) S1PR1S1PR5PTGS2CYP3A4CYP2C9
SCHEMBL5951608 0.95 S1PR1 (0.38) S1PR1S1PR5PTGS2CYP3A4CYP2C9
SCHEMBL4475031 0.94 APP (0.32) S1PR1S1PR5
SCHEMBL4468354 0.94 APP (0.32) S1PR1S1PR5
SCHEMBL4479305 0.94 CYP3A4 (0.34) S1PR1S1PR5CYP3A4CYP2C9
SCHEMBL4481383 0.94 CYP3A4 (0.34) S1PR1S1PR5CYP3A4CYP2C9
SCHEMBL4480657 0.90
SCHEMBL4461127 0.90 CYP3A4 (0.32) CYP3A4CYP2C9
SCHEMBL4481358 0.90 APP (0.30)
SCHEMBL4469577 0.90

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-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 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-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX S1PR1 3967/4885S1PR5 4420/4885PTGS2 70/4885

“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.