SCHEMBL817816

SCHEMBL817816

Cc1cc2c(s1)CC(C)C2=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.44
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1D P25100 5/20 0.32
ADRA1A P35348 5/20 0.32
ADRA1B P35368 5/20 0.32
PNMT P11086 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
SCHEMBL815759 0.69 ACHE (0.44) ACHEPNMT
SCHEMBL17866229 0.69 ADRA1D (0.39) MEN1TSHRCYP2C19RAB9AKMT2A
SCHEMBL9865556 0.68 ACHE (0.47) ACHE
SCHEMBL10447550 0.66 ADRA1D (0.47) MEN1TSHRCYP2C19RAB9AKMT2A
SCHEMBL13104453 0.65 TSHR (0.42) MEN1TSHRCYP2C19RAB9AKMT2A
SCHEMBL1822840 0.65 PNMT (0.39) MEN1TSHRCYP2C19RAB9AKMT2A
SCHEMBL29621066 0.64 ACHE (0.61) ACHEMEN1KMT2A
SCHEMBL3658017 0.64 ACHE (0.61) ACHEMEN1KMT2A
SCHEMBL1821544 0.64 ACHE (0.34) ACHE
SCHEMBL10426987 0.64 ADRA1D (0.45) ADRA1DADRA1AADRA1B

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
WO-2023124996-A1 SULFUR-CONTAINING CHIRAL BRIDGED METALLOECENE COMPOUND, PREPARATION THEREOF, AND APPLICATION 中国石油天然气股份有限公司 2023-07-06 WO disclosed
US-11578148-B2 Metal complex comprising amidine and thiophene fused cyclopentadienyl ligands ARLANXEO NETHERLANDS B.V. 2023-02-14 US disclosed
EP-3732183-B1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands Bv (NL) 2021-10-20 EP disclosed
US-20210087305-A1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2021-03-25 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
EP-1475383-B1 TRANSITION METAL COMPLEXES, LIGANDS, POLYMERIZATION CATALYSTS FOR OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2010-09-08 EP disclosed
EP-1475383-B1 TRANSITION METAL COMPLEXES, LIGANDS, POLYMERIZATION CATALYSTS FOR OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2010-09-08 EP disclosed
US-7241927-B2 Transition metal complexes, ligands, catalysts for olefin polymerization, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-10 US disclosed
US-7241927-B2 Transition metal complexes, ligands, catalysts for olefin polymerization, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-10 US disclosed
US-7241927-B2 Transition metal complexes, ligands, catalysts for olefin polymerization, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-10 US disclosed
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-7141690-B2 Transition metal complexes, ligands, polymerization catalysts for olefins, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-28 US disclosed
US-20060111525-A1 Transition metal complexes, ligands, catalysts for olefin polymerization, and process for production of olefin polymers HANAOKA HIDENORI 2006-05-25 US disclosed
US-20050154158-A1 Transition metal complexes, ligands, polymerization catalysts for olefins, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-14 US disclosed
EP-1475383-A1 TRANSITION METAL COMPLEXES, LIGANDS, POLYMERIZATION CATALYSTS FOR OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS Sumitomo Chemical Company, Limited (JP) 2004-11-10 EP disclosed
US-6444833-B1 COORDINATION POLYMERIZATION CATALYSTS BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-03 US 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 (6 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-20210087305-A1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS AP3M1, AP2M1, AP1M1 ACHE 2801/4885MEN1 177/4885TSHR 457/4885
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization OPRM1, POLM, AP1M1 ACHE 3852/4885MEN1 2316/4885TSHR 1993/4885
US-20050154158-A1 Transition metal complexes, ligands, polymerization catalysts for olefins, and process for production of olefin polymers PYM1, OR10J3, AP1M1 ACHE 3829/4885MEN1 1833/4885TSHR 1610/4885
US-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 ACHE 3852/4885MEN1 2316/4885TSHR 1993/4885
US-11578148-B2 Metal complex comprising amidine and thiophene fused cyclopentadienyl ligands AP3M1, AP2M1, AP1M1 ACHE 2801/4885MEN1 177/4885TSHR 457/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 ACHE 3852/4885MEN1 2316/4885TSHR 1993/4885

“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.