SCHEMBL13102478

SCHEMBL13102478

O=C1c2c(Cl)cccc2CC1CC1CC2CCCC(C2)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
BCHE P06276 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTR1A P08908 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
SCHEMBL2390359 0.85 ACHE (0.44) ACHEBCHE
SCHEMBL13103116 0.77 ACHE (0.41) ACHEHTR2AHTR2CHTR2B
SCHEMBL2387917 0.75 P2RX7 (0.42) HTR2AHTR2CHTR2B
SCHEMBL5951765 0.74 HTR2A (0.40) ACHEHTR2AHTR2CHTR2B
SCHEMBL13273273 0.72 P2RX7 (0.34) HTR2AHTR2CHTR2B
SCHEMBL5952581 0.72 GRM2 (0.41) ACHEHTR2AHTR2CHTR2B
SCHEMBL5952510 0.72 NOS3 (0.38) HTR2AHTR2CHTR2B
SCHEMBL2388260 0.71 HTR2A (0.37) ACHEHTR2AHTR2CHTR2B
SCHEMBL5951328 0.71 ABCB1 (0.50)
SCHEMBL5953404 0.71 HTR2A (0.37) ACHEHTR2AHTR2CHTR2B

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
US-20120329964-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-12-27 US disclosed
US-8299287-B2 Metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers Lammus Novolen Technology GmbH (DE) 2012-10-30 US disclosed
US-20100267907-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO-AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2010-10-21 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 (2 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-20120329964-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS PIN1, PCNA, OPRM1 ACHE 2582/4885BCHE 1885/4885HTR2A 307/4885
US-20100267907-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO-AND COPOLYMERS PIN1, PCNA, OPRM1 ACHE 2582/4885BCHE 1885/4885HTR2A 307/4885

“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.