SCHEMBL814696

SCHEMBL814696

CC[C](CC)c1cccc(CC)c1CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
CLCN2 P51788 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
HTR1A P08908 1/20 0.40
HTT P42858 2/20 0.38
IAPP P10997 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
F2R P25116 1/20 0.36
DAO P14920 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
KAT6A Q92794 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL28882293 0.83 GABRA1 (0.46) GABRA1GABRB2CLCN2TAAR1HTR1A
SCHEMBL10915002 0.83 GABRA1 (0.50) GABRA1GABRB2CLCN2TAAR1HTR1A
Hydrochloric Acid SCHEMBL29091993 0.82 GABRA1 (0.45) GABRA1GABRB2CLCN2TAAR1HTR1A
SCHEMBL2971014 0.81 GABRA1 (0.33) GABRA1GABRB2TAAR1HTR1A
SCHEMBL10499032 0.81 GABRA1 (0.48) GABRA1GABRB2CLCN2TAAR1HTR1A
SCHEMBL578127 0.81 CLCN2 (0.56) GABRA1GABRB2CLCN2HTTALDH1A1
SCHEMBL16959754 0.81 GABRA1 (0.48) GABRA1GABRB2CLCN2TAAR1HTR1A
SCHEMBL817149 0.80 GABRA1 (0.46) GABRA1GABRB2CLCN2HTTALDH1A1
SCHEMBL8820704 0.79 GABRA1 (0.46) GABRA1GABRB2CLCN2TAAR1HTR1A
SCHEMBL72113 0.79 PARP1 (0.49) GABRA1GABRB2CLCN2HTTALDH1A1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-08-09 US disclosed
US-8173828-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-05-08 US disclosed
US-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2011-11-24 US disclosed
US-7868197-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-01-11 US disclosed
US-20060135353-A1 Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-06-22 US disclosed
WO-2006065468-A1 METALLOCENE COMPLEXES, THEIR SYNTHESIS AND USE IN CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 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 (4 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 GABRA1 3688/4885GABRB2 3686/4885CLCN2 2429/4885
US-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 GABRA1 1953/4885GABRB2 2473/4885CLCN2 1734/4885
US-20060135353-A1 Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization MCM5, MLX, NR0B2 GABRA1 4231/4885GABRB2 4105/4885CLCN2 1550/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 GABRA1 1953/4885GABRB2 2473/4885CLCN2 1734/4885

“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.