SCHEMBL4576536

SCHEMBL4576536

CCCCc1ccc([C]c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 5/20 0.45
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
PLK1 P53350 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
STS P08842 1/20 0.40
ESRRG P62508 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39

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
SCHEMBL27508667 0.89 KCNH2 (0.50) KCNH2SIGMAR1HSD17B10TSHRCA2
SCHEMBL547838 0.89 KCNH2 (0.60) KCNH2SIGMAR1HSD17B10CA2CA1
SCHEMBL2866651 0.87 HSD17B10 (0.53) HSD17B10TSHRCA2CA1PLK1
SCHEMBL8776979 0.83 KCNH2 (0.63) KCNH2SIGMAR1HSD17B10LMNAALDH1A1
SCHEMBL28534367 0.81 KCNH2 (0.61) KCNH2SIGMAR1HSD17B10LMNAALDH1A1
SCHEMBL28525880 0.81 KCNH2 (0.61) KCNH2SIGMAR1HSD17B10LMNAALDH1A1
SCHEMBL7655510 0.80 KCNH2 (0.56) KCNH2SIGMAR1HSD17B10CA2CA1
SCHEMBL9711161 0.80 ESR1 (0.63) KCNH2HSD17B10CA2CA1LMNA
SCHEMBL12752951 0.80 KCNH2 (0.56) KCNH2SIGMAR1HSD17B10CA2CA1
SCHEMBL7652240 0.79 HPGD (0.50) KCNH2SIGMAR1PLK1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806220-B2 COORDINATION CATALYST FOR POLYOLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-19 US claimed
EP-1296991-B1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2013-05-15 EP disclosed
EP-1448568-A4 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEM PATENTS INC (US) 2008-02-13 EP disclosed
US-6909008-B2 Cocatalyst compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-06-21 US disclosed
EP-1259553-B1 HIGH ACTIVITY CARBENIUM-ACTIVATED POLYMERIZATION CATALYSTS EXXONMOBIL CHEM PATENTS INC (US) 2005-01-12 EP disclosed
EP-1129115-B1 OLEFIN COPOLYMERIZATION PROCESS WITH BRIDGED HAFNOCENES EXXONMOBIL CHEM PATENTS INC (US) 2004-12-08 EP disclosed
US-6806220-B2 COORDINATION CATALYST FOR POLYOLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-19 US disclosed
US-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-07 US disclosed
EP-1448568-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS ExxonMobil Chemical Patents Inc. (US) 2004-08-25 EP disclosed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US disclosed
WO-2003040070-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-05-15 WO disclosed
US-6562919-B2 Bridged hafnocene catalyst complexes activated with cocatalysts EXXONMOBIL CHEMICAL PATENTS INC. 2003-05-13 US disclosed
EP-1259553-A1 HIGH ACTIVITY CARBENIUM-ACTIVATED POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 2002-11-27 EP disclosed
US-6486088-B1 High activity carbenium-activated polymerization catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2002-11-26 US disclosed
US-20020165086-A1 High activity carbenium-activated polymerization catalysts CROWTHER DONNA JEAN (US) 2002-11-07 US disclosed
US-20020086958-A1 High activity carbenium-activated polymerization catalysts UNIVATION TECHNOLOGIES, LLC 2002-07-04 US disclosed
US-6300433-B1 Olefin copolymerization process with bridged hafnocenes EXXONMOBIL CHEMICAL PATENTS INC. 2001-10-09 US disclosed
EP-1129115-A1 OLEFIN COPOLYMERIZATION PROCESS WITH BRIDGED HAFNOCENES ExxonMobil Chemical Patents Inc. (US) 2001-09-05 EP disclosed
WO-2001029096-A1 HIGH ACTIVITY CARBENIUM-ACTIVATED POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 2001-04-26 WO disclosed
WO-2000024792-A1 OLEFIN COPOLYMERIZATION PROCESS WITH BRIDGED HAFNOCENES EXXON CHEMICAL PATENTS INC. (US) 2000-05-04 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-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS AADAC, NAA15, ALG8 KCNH2 4221/4885SIGMAR1 2421/4885HSD17B10 2177/4885

“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.