SCHEMBL3965405

SCHEMBL3965405

Cc1ccc(-c2ccc(-c3ccc(C)cc3)c(C=O)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.49
AR P10275 1/20 0.42
CYP2A6 P11509 1/20 0.40
ALB P02768 1/20 0.38
PTGS2 P35354 3/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MIF P14174 1/20 0.37
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
PTGS1 P23219 1/20 0.36
COMT P21964 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3970046 0.80 HDAC4 (0.50) ERN1MEN1ALDH1A1HPGDKMT2A
SCHEMBL5335160 0.78 MEN1 (0.40) ERN1ARCYP2A6PTGS2PTGS1
SCHEMBL3966538 0.74 ERN1 (0.50) ERN1ARCYP2A6MAOAMAOB
SCHEMBL5617574 0.74 ESR2 (0.46) ERN1ARMAOAMAOBMEN1
SCHEMBL3973286 0.73 MCL1 (0.41) ERN1CYP2A6ALBPTGS2CA12
SCHEMBL38650926 0.73 SENP1 (0.43) PTGS2ALOX15ALOX12PTGS1COMT
SCHEMBL13443717 0.71 ELANE (0.41) PTGS2ALOX15ALOX12PTGS1COMT
SCHEMBL2870997 0.71 ALOX15 (0.47) CA12CA9ALOX15ALOX12COMT
SCHEMBL7930611 0.70 PTGS2 (0.44) ERN1CYP2A6PTGS2CA12CA9
SCHEMBL6477979 0.70 MAOB (0.45) ERN1CA12CA9MIFMAOA

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 9 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
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
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 2212/4885AR 2951/4885CYP2A6 889/4885

“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.