SCHEMBL817973

SCHEMBL817973

CC1Cc2ccsc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.46
KMT2A Q03164 1/20 0.45
NOS2 P35228 6/20 0.38
NOS3 P29474 5/20 0.38
CES1 P23141 1/20 0.35

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
SCHEMBL28523909 0.76 KMT2A (0.41) KMT2ANOS2NOS3CES1
SCHEMBL19129357 0.76 KMT2A (0.41) KMT2ANOS2NOS3CES1
SCHEMBL11536198 0.76 KMT2A (0.42) ACHEKMT2ANOS2NOS3CES1
SCHEMBL11533284 0.76 KMT2A (0.49) ACHEKMT2ANOS2NOS3
SCHEMBL9865445 0.72 KMT2A (0.42) KMT2ANOS2NOS3
SCHEMBL14127907 0.71 NOS2 (0.35) ACHEKMT2ANOS2NOS3
SCHEMBL14024432 0.70
SCHEMBL8350640 0.70
SCHEMBL9865556 0.69 ACHE (0.47) ACHENOS2NOS3CES1
SCHEMBL19135958 0.68 KMT2A (0.41) ACHEKMT2ANOS2NOS3CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673178-B2 Liquid crystal medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2014-03-18 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
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-08-09 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-8173828-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-05-08 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-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
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2007028536-A2 PROCESS FOR PREPARING OLEFIN POLYMERS IN THE PRESENCE OF CATALYST SYSTEMS HAVING PHOTOCHROMIC GROUPS BASELL POLYOLEFINE GMBH (DE) 2007-03-15 WO disclosed
WO-2007028536-A2 PROCESS FOR PREPARING OLEFIN POLYMERS IN THE PRESENCE OF CATALYST SYSTEMS HAVING PHOTOCHROMIC GROUPS BASELL POLYOLEFINE GMBH (DE) 2007-03-15 WO disclosed
EP-1327636-B1 Heterocyclic metallocenes and polymerisation catalysts BASELL POLYOLEFINE GMBH (DE) 2006-01-11 EP disclosed
US-20050192418-A1 Heterocyclic metallocenes and polymerization catalysts EQUISTAR CHEMICALS, LP 2005-09-01 US disclosed
EP-1327636-A2 Heterocyclic metallocenes and polymerisation catalysts Basell Polyolefine GmbH (DE) 2003-07-16 EP disclosed
EP-0938491-B1 HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS BASELL POLYOLEFINE GMBH (DE) 2003-05-07 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 (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-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization OPRM1, POLM, AP1M1 ACHE 3852/4885KMT2A 895/4885NOS2 3571/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 ACHE 3416/4885KMT2A 2970/4885NOS2 1669/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 ACHE 3852/4885KMT2A 895/4885NOS2 3571/4885
US-20050192418-A1 Heterocyclic metallocenes and polymerization catalysts GAK, INTS9, ZYX ACHE 3852/4885KMT2A 632/4885NOS2 872/4885

“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.