SCHEMBL3674012

SCHEMBL3674012

CC1=Cc2c(C(C)C)cccc2C1[Zr](C)(C)([SiH3])(Cl)(Cl)C1C(C)=Cc2c(C(C)C)cccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL5346910 0.83 GABRA1 (0.32) LMNAFAAHCA1CA2CYP1A2
SCHEMBL5364837 0.77 ALDH1A1 (0.31) TSHR
SCHEMBL7889145 0.76
SCHEMBL2047652 0.76
SCHEMBL3964838 0.75
SCHEMBL4083626 0.75 LMNA (0.33) LMNAFAAHCA1CA2CYP1A2
SCHEMBL8830685 0.75 PDCD1 (0.32) HTR2B
SCHEMBL7886955 0.74
SCHEMBL7805739 0.73 GABRA1 (0.34) LMNAFAAHCA1CA2CYP1A2
SCHEMBL7053648 0.73 LMNA (0.34) LMNAFAAHCA1CA2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776980-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2010-08-17 US disclosed
US-20090018292-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2009-01-15 US disclosed
EP-1861409-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2007-12-05 EP disclosed
WO-2006100004-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-09-28 WO disclosed
US-6242544-B1 POLYOLEFINS PREPARED USING SOLUBLE METALLOCENE COMPOUNDS IN COMBINATION WITH ALUMINOXANES; HIGH MOLECULAR WEIGHT AND ISOTACTICITY TARGOR GMBH (DE) 2001-06-05 US disclosed
US-6051727-A A POLYMERIZATION CATALYST FOR POLYOLEFINS OF HIGH MOLECULAR WEIGHT, OF PARTICULAR IMPORTANCE FOR THE PRODUCTION OF FILMS, SHEETS OR LARGE HOLLOW ARTICLES OR MOLDINGS SUCH AS PIPES TARGOR GMBH (DE) 2000-04-18 US disclosed
US-5840644-A OLEFIN POLYMERIZATION CATALYSTS TARGOR GMBH (DE) 1998-11-24 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-20090018292-A1 Monocyclopentadienyl Complexes TKT, KMO, PKM LMNA 3093/4885FAAH 3455/4885CA1 3321/4885

“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.