SCHEMBL817822

SCHEMBL817822

CC1=C(C)c2ccsc2C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
USP2 O75604 1/20 0.32
CES1 P23141 1/20 0.32
PDGFRB P09619 1/20 0.31
KIT P10721 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
SCHEMBL14498864 0.78 NOS2 (0.41) NOS2USP2CES1
SCHEMBL1823075 0.75 NOS2 (0.39) NOS2USP2CES1PDGFRBKIT
SCHEMBL14947904 0.68 PDGFRB (0.31) PDGFRBKIT
SCHEMBL7933457 0.67 NOS2 (0.32) NOS2
SCHEMBL21508270 0.65 PNMT (0.33) NOS2
SCHEMBL16887409 0.64 PLA2G10 (0.40) NOS2CES1
SCHEMBL1820514 0.63 CES1 (0.41) NOS2USP2CES1PDGFRBKIT
SCHEMBL563323 0.63 ALDH1A1 (0.47) CES1
SCHEMBL2430216 0.62 DRD1 (0.43) CES1
SCHEMBL16870185 0.61 CES1 (0.34) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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 (3 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 NOS2 3571/4885USP2 3671/4885CES1 4170/4885
US-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 NOS2 3571/4885USP2 3671/4885CES1 4170/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 NOS2 3571/4885USP2 3671/4885CES1 4170/4885

“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.