SCHEMBL4366299

SCHEMBL4366299

CC(C)(C)c1cc([O-])cc(C(C)(C)C)c1.CC(C)(C)c1cc([O-])cc(C(C)(C)C)c1.Cl[Zr+2]Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RXRA P19793 2/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
HTR1D P28221 1/20 0.31
HMGCR P04035 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5702852 0.87 GABRA1 (0.50) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL7738539 0.87 GABRA1 (0.50) GABRA1GABRB2POLBKDM4EGAA
Potassium Ion SCHEMBL7743976 0.87 GABRA1 (0.50) GABRA1GABRB2POLBKDM4EGAA
Lithium Ion SCHEMBL7743757 0.87 GABRA1 (0.50) GABRA1GABRB2POLBKDM4EGAA
Hydrochloric Acid SCHEMBL6040026 0.84 GABRA1 (0.48) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL93161 0.74 GABRA1 (0.69) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL10394690 0.71 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL10415675 0.71 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
Trifluoromethanesulfonic Acid SCHEMBL7086757 0.70 GPR3 (0.38) GABRA1GABRB2ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL7089707 0.69 GABRA1 (0.39) GABRA1GABRB2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619106-B2 Preparation of partially hydrogenated rac-ansa-metallocene complexes BASELL POLYOLEFINE GMBH (DE) 2009-11-17 US disclosed
US-20080200708-A1 Preparation of Partially Hydrogenated Rac-Ansa-Metallocene Complexes BASELL POLYOLEFINE GMBH (DE) 2008-08-21 US disclosed
EP-1554295-B1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2008-07-02 EP disclosed
EP-1554295-A1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES Basell Polyolefine GmbH (DE) 2005-07-20 EP disclosed
WO-2004037838-A1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-05-06 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-20080200708-A1 Preparation of Partially Hydrogenated Rac-Ansa-Metallocene Complexes HRAS, RAP1A, NBAS GABRA1 4311/4885GABRB2 4760/4885POLB 432/4885

“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.