SCHEMBL3966445

SCHEMBL3966445

O=Cc1c(O)cccc1C12CCC(CC1)C2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.33
STS P08842 2/20 0.33
CYP19A1 P11511 1/20 0.33
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
OPRK1 P41145 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL4081296 0.86 RARB (0.41) ERN1RARBRARARARG
SCHEMBL3970254 0.82 PADI4 (0.32) RARBRARARARG
SCHEMBL3049402 0.79 ALOX5AP (0.37) RARBRARARARGOPRK1OPRM1
SCHEMBL3965380 0.78 ERN1 (0.44) ERN1TRIM24TRIM33
SCHEMBL5336706 0.77 MEN1 (0.35) RARBRARARARG
SCHEMBL12760803 0.76 ERN1 (0.46) ERN1RARBRARARARGTRIM24
SCHEMBL13004757 0.76 IDO1 (0.35) OPRK1OPRM1OPRD1
SCHEMBL547646 0.73 LMNA (0.41) TRIM24TRIM33
SCHEMBL7165307 0.73 ERN1 (0.43) ERN1RARBRARARARG
SCHEMBL15789451 0.72 MEN1 (0.32) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
EP-1480987-B1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE HOLDING GMBH (DE) 2009-07-29 EP disclosed
EP-1992630-A1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins Celanese Holding GmbH (DE) 2008-11-19 EP disclosed
CN-100354283-C Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins CELANESE VENTURES GMBH (DE) 2007-12-12 CN disclosed
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 US disclosed
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
CN-1642962-A Covalently bound non-metallocenes, method for the production thereof and use thereof in the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-20 CN disclosed
US-20050148461-A1 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-07 US disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
EP-1480987-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS Celanese Ventures GmbH (DE) 2004-12-01 EP disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US disclosed
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 WO 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 ERN1 2212/4885STS 2841/4885CYP19A1 185/4885

“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.