SCHEMBL3742592

SCHEMBL3742592

CC(C)c1cccc(C(C)C)c1O[Al](Oc1c(C(C)C)cccc1C(C)C)Oc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
TSHR P16473 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL395097 0.84 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL391775 0.84 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL31235425 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL9271255 0.77 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL9988540 0.75 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL5548772 0.75 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL12974541 0.73 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL315900 0.73 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL22026422 0.73 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL3373492 0.73 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR

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
US-8383848-B2 Transition metal compound and catalyst for olefin polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-26 US disclosed
US-20110319578-A1 TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20100280197-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER TAKAOKI KAZUO 2010-11-04 US disclosed
US-7220805-B2 Process for producing contact product; catalyst component for addition polymerization; process for producing catalyst for addition polymerization; and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7202316-B2 Modified particle, catalyst component for addition polymerization, catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-10 US disclosed
US-20050256282-A1 Process for producing contact product; catalyst component for addition polymerization; process for producing catalyst for addition polymerization; and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2005-11-17 US disclosed
US-20050192178-A1 Modified particle, catalyst component for addition polymerization, catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-01 US disclosed
US-6870015-B2 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 US disclosed
US-20030069127-A1 Modified particle,support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2003-04-10 US disclosed
EP-1300425-A2 Catalyst component for addition polymerization, process for producing said catalyst and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-09 EP disclosed
US-20030060579-A1 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-27 US disclosed
EP-1275662-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-15 EP 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-20110319578-A1 TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION AP1M1, SOD1, YAP1 GABRA1 4448/4885GABRG2 4482/4885GABRB3 4548/4885

“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.