SCHEMBL534094

SCHEMBL534094

CC(C)(C)Cc1[c]c(CC(C)(C)C)ccc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
RIPK1 Q13546 1/20 0.32
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL23248041 0.86 ESR1 (0.31) ESR1
SCHEMBL14989000 0.84 ESR1 (0.30) ESR1
SCHEMBL23142316 0.81 RIPK1 (0.30) RIPK1
SCHEMBL394425 0.73 RIPK1 (0.33) ESR1RIPK1SLC6A2TAAR1
SCHEMBL2458780 0.72 RIPK1 (0.30) RIPK1
SCHEMBL6239712 0.72 ALDH1A1 (0.33) ESR1
SCHEMBL177278 0.69 GABRA1 (0.38)
SCHEMBL1275278 0.67 RIPK1 (0.44) ESR1RIPK1SLC6A2TAAR1
SCHEMBL28344918 0.65 ESR1 (0.38) ESR1
SCHEMBL185493 0.65 KCNH2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462745-B2 Method for the production of 2,7-octadienyl derivatives OXENO OLEFINCHEMIE GMBH (DE) 2008-12-09 US claimed
EP-1781588-B1 METHOD FOR THE PRODUCTION OF 2,7-OCTADIENYL DERIVATIVES EVONIK OXENO GMBH (DE) 2008-03-12 EP claimed
US-20080021234-A1 Removing acetylenically and allenically unsaturated compounds from a 1,3-butadiene-containing hydrocarbon stream by extraction or selective hydrogenation; telomerizing the purified product by reaction with a nucleophile, particularly using a metal-carbene complex catalyst OXENO OLEFINCHEMIE GMBH (DE) 2008-01-24 US claimed
EP-1781588-A1 METHOD FOR THE PRODUCTION OF 2,7-OCTADIENYL DERIVATIVES Oxeno Olefinchemie GmbH (DE) 2007-05-09 EP claimed
WO-2006024614-A1 METHOD FOR THE PRODUCTION OF 2,7-OCTADIENYL DERIVATIVES OXENO OLEFINCHEMIE GMBH (DE) 2006-03-09 WO claimed
CN-108137767-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108350129-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108137759-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-111315789-A Copolymer, method for producing copolymer, rubber composition, and tire 株式会社普利司通 2020-06-19 CN disclosed
US-20160375157-A1 COMPOSITIONS FOR TARGETED IMAGING AND THERAPY Radiomedix, Inc. 2016-12-29 US disclosed
EP-2749578-B1 METHOD FOR PRODUCING POLYMER BRIDGESTONE CORP (JP) 2016-09-28 EP disclosed
US-9408928-B2 Compositions for targeted imaging and therapy Radiomedix, Inc. (US) 2016-08-09 US disclosed
WO-2006024614-A1 METHOD FOR THE PRODUCTION OF 2,7-OCTADIENYL DERIVATIVES OXENO OLEFINCHEMIE GMBH (DE) 2006-03-09 WO disclosed
EP-1084163-B1 IMPROVED SYNDIOTACTIC VINYLIDENE AROMATIC POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2005-06-01 EP disclosed
EP-1192197-B1 METHOD FOR PRODUCING GRAFT COPOLYMERS, CONTAINING AN ELASTIC GRAFT COPOLYMER BACKBONE BASF AG (DE) 2002-12-04 EP disclosed
EP-1068244-A1 METHOD FOR PRODUCING COPOLYMERS FROM FUNCTIONALISED OLEFINICALLY UNSATURATED MONOMERS AND NON-POLAR OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-01-17 EP disclosed
WO-1999047569-A1 METHOD FOR PRODUCING COPOLYMERS FROM FUNCTIONALISED OLEFINICALLY UNSATURATED MONOMERS AND NON-POLAR OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-23 WO disclosed
EP-0229191-B1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1993-06-02 EP disclosed
EP-0039805-B1 PROCESS FOR THE PRODUCTION OF ALTERNATING COPOLYMERS OF BUTADIENE AND PROPYLENE BAYER AG (DE) 1983-08-31 EP disclosed
EP-0039805-A1 Process for the production of alternating copolymers of butadiene and propylene BAYER AG (DE) 1981-11-18 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 (2 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-20080021234-A1 Removing acetylenically and allenically unsaturated compounds from a 1,3-butadiene-containing hydrocarbon stream by extraction or selective hydrogenation; telomerizing the purified product by reaction with a nucleophile, particularly using a metal-carbene complex catalyst KAT8, KAT7, NAA15 ESR1 2486/4885RIPK1 2675/4885SLC6A2 4683/4885
US-20160375157-A1 COMPOSITIONS FOR TARGETED IMAGING AND THERAPY EGFR, ASGR1, TK1 ESR1 514/4885RIPK1 4478/4885SLC6A2 562/4885

“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.