SCHEMBL815759

SCHEMBL815759

Cc1cc2c(s1)C(=O)C(C)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.44
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
NOTUM Q6P988 2/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
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
SCHEMBL10593129 0.79 ACHE (0.40) ACHENOTUMMAPTHPGD
SCHEMBL817816 0.69 ACHE (0.44) ACHEPNMT
SCHEMBL2774624 0.68 ALDH1A1 (0.46) NOS3NOS2MAPTHPGD
SCHEMBL817973 0.67 ACHE (0.46) ACHENOS3NOS2
SCHEMBL7606949 0.66 SIRT1 (0.32) NOS3NOS2NOTUM
SCHEMBL2775298 0.65 PNMT (0.37) NOS3NOS2NOTUMHPGDPNMT
SCHEMBL13963484 0.65 PNMT (0.43) NOS3NOS2NOTUMMAPTHPGD
SCHEMBL1823806 0.65 NOS3 (0.39) NOS3NOS2MAPTPNMT
SCHEMBL3658017 0.64 ACHE (0.61) ACHEMAPTHPGD
SCHEMBL22608077 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578148-B2 Metal complex comprising amidine and thiophene fused cyclopentadienyl ligands ARLANXEO NETHERLANDS B.V. 2023-02-14 US 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
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-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-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 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
WO-2007070046-A1 HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
WO-2007070046-A1 HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
US-20070142649-A1 Reacting a thiophene or 1-substituted pyrrole with a methacrylic acid or anhydride or derivated to form a fused thieno(c)cyclopentanone or pyrrolo(c)cyclopentanone in the presence of a strong acid (methane sulfonic acid) and a water absorbent (P2O5) BASELL POLYOLEFINE GMBH (DE) 2007-06-21 US disclosed
US-20070142649-A1 Reacting a thiophene or 1-substituted pyrrole with a methacrylic acid or anhydride or derivated to form a fused thieno(c)cyclopentanone or pyrrolo(c)cyclopentanone in the presence of a strong acid (methane sulfonic acid) and a water absorbent (P2O5) BASELL POLYOLEFINE GMBH (DE) 2007-06-21 US disclosed
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
EP-1572677-B1 PREPARATION OF HETEROCYCLIC KETONES BASELL POLYOLEFINE GMBH (DE) 2006-04-12 EP disclosed
EP-1572677-A1 PREPARATION OF HETEROCYCLIC KETONES Basell Polyolefine GmbH (DE) 2005-09-14 EP disclosed
WO-2004056796-A1 PREPARATION OF HETEROCYCLIC KETONES BASELL POLYOLEFINE GMBH (DE) 2004-07-08 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 (5 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 2801/4885NOS3 3748/4885NOS2 4230/4885
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization OPRM1, POLM, AP1M1 ACHE 3852/4885NOS3 3566/4885NOS2 3571/4885
US-11578148-B2 Metal complex comprising amidine and thiophene fused cyclopentadienyl ligands AP3M1, AP2M1, AP1M1 ACHE 2801/4885NOS3 3748/4885NOS2 4230/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 ACHE 3852/4885NOS3 3566/4885NOS2 3571/4885
US-20070142649-A1 Reacting a thiophene or 1-substituted pyrrole with a methacrylic acid or anhydride or derivated to form a fused thieno(c)cyclopentanone or pyrrolo(c)cyclopentanone in the presence of a strong acid (methane sulfonic acid) and a water absorbent (P2O5) PYCR1, CBR1, AKR1C3 ACHE 4275/4885NOS3 484/4885NOS2 644/4885

“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.