SCHEMBL3968286

SCHEMBL3968286

CC(C)c1ccc(C(C)C)c(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.48
GABRB1 P18505 4/20 0.48
LMNA P02545 3/20 0.48
GABRB2 P47870 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2B P41595 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
BLM P54132 2/20 0.48
HIF1A Q16665 2/20 0.48
PTGS1 P23219 2/20 0.48
FAAH O00519 1/20 0.48
TSHR P16473 1/20 0.48
GABRG2 P18507 1/20 0.48
HTR2C P28335 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48

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
SCHEMBL12222509 0.86 ALB (0.41) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL312065 0.86 PTGS1 (0.43) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL29699645 0.75 GABRA1 (0.68) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL2585105 0.75 GABRA1 (0.68) GABRA1GABRB1LMNAGABRB2CA1
Thymol SCHEMBL11560527 0.75 LMNA (0.62) LMNASLC6A2HTR2BCYP1A2CYP3A4
SCHEMBL1527132 0.75 GABRA1 (0.54) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL954191 0.75 GABRA1 (0.48) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL3431399 0.74 TYR (0.46) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL6214960 0.71 GABRA1 (0.48) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL310825 0.71 GABRA1 (0.61) GABRA1GABRB1LMNAGABRB2CA1

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 11 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
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 GABRA1 4711/4885GABRB1 4817/4885LMNA 4296/4885

“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.