SCHEMBL3964598

SCHEMBL3964598

CCc1ccc(CC)c(C=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
AOX1 Q06278 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
PADI4 Q9UM07 1/20 0.39
ERN1 O75460 2/20 0.36
ESR1 P03372 3/20 0.36
PTGS1 P23219 1/20 0.36
ACP1 P24666 1/20 0.36
PDE4A P27815 1/20 0.36
P2RX1 P51575 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
ESR2 Q92731 2/20 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
SCHEMBL1839953 0.87 GABRA1 (0.41) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL5337847 0.81 PRKCI (0.49) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL3962694 0.78 TYR (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL45861 0.77 GABRA1 (0.68) GABRA1GABRB2ESR1ESR2FEN1
SCHEMBL952797 0.77 ESR1 (0.36) GABRA1GABRB2KDM4EALDH1A1HPGD
SCHEMBL5035892 0.76 GABRA1 (0.48) GABRA1GABRB2ALDH1A1TRIM24TRIM33
SCHEMBL18717162 0.75 ERN1 (0.62) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL6901444 0.74 ALDH1A1 (0.31) GABRA1GABRB2MEN1ALDH1A1LMNA
SCHEMBL13639929 0.74 ERN1 (0.63) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL1527075 0.74 GABRA1 (0.52) GABRA1GABRB2TRIM24TRIM33ERN1

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 4711/4885GABRB2 4763/4885KDM4E 3003/4885

“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.