SCHEMBL20168950

SCHEMBL20168950

CS(C)(C1CCc2ccccc21)C1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.51
PDPK1 O15530 1/20 0.50
IDO1 P14902 2/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
CYP11B2 P19099 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
BCHE P06276 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL23686727 0.86 HTR6 (0.44) HTR6PDPK1IDO1CA1CA2
SCHEMBL16242806 0.84 HTR6 (0.57) HTR6PDPK1IDO1CA1CA2
SCHEMBL20168951 0.81 HTR6 (0.40) HTR6PDPK1IDO1CA1CA2
SCHEMBL21370023 0.80 HTR6 (0.45) HTR6PDPK1IDO1CA1CA2
SCHEMBL21369982 0.78 HTR6 (0.44) HTR6PDPK1IDO1CA1CA2
SCHEMBL18676280 0.78 HTR6 (0.39) HTR6PDPK1IDO1CYP11B2SIGMAR1
SCHEMBL21302068 0.78 KDM1A (0.42) HTR6PDPK1MAOAMAOBCYP11B2
SCHEMBL22402756 0.76 IDO1 (0.49) HTR6PDPK1IDO1ADRA1A
SCHEMBL2319101 0.76 HTR6 (0.57) HTR6PDPK1IDO1CA1CA2
SCHEMBL2026702 0.76 HTR6 (0.57) HTR6PDPK1IDO1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177619-A1 Metallocene Catalyst Systems With Chemically-Treated Solid Oxides For Producing Ethylene-Based Plastomers And Elastomers CHEVRON PHILLIPS CHEMICAL COMPANY LP 2022-06-09 US disclosed
US-11014997-B2 Dual catalyst system for producing high density polyethylenes with long chain branching CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-05-25 US disclosed
US-20210139619-A1 Dual Catalyst System for Producing High Density Polyethylenes With Long Chain Branching CHEVRON PHILLIPS CHEMICAL COMPANY LP 2021-05-13 US disclosed
US-10975184-B2 High-density ethylene-based polymer using hybrid supported metallocene catalyst and pipe using same HANWHA CHEMICAL CORPORATION (KR) 2021-04-13 US disclosed
US-10954321-B2 High-density ethylene-based polymer using supported hybrid metallocene catalyst, and manufacturing method therefor HANWHA CHEMICAL CORPORATION (KR) 2021-03-23 US disclosed
US-20200362064-A1 Dual Catalyst System for Producing High Density Polyethylenes With Long Chain Branching CHEVRON PHILLIPS CHEMICAL COMPANY LP 2020-11-19 US disclosed
US-20200190238-A1 HIGH-DENSITY ETHYLENE-BASED POLYMER USING HYBRID SUPPORTED METALLOCENE CATALYST AND PIPE USING SAME HANWHA CHEMICAL CORPORATION (KR) 2020-06-18 US disclosed
US-20190169325-A1 HIGH-DENSITY ETHYLENE-BASED POLYMER USING SUPPORTED HYBRID METALLOCENE CATALYST, AND MANUFACTURING METHOD THEREFOR HANWHA CHEMICAL CORPORATION (KR) 2019-06-06 US disclosed
US-9975972-B2 Ethylene-based polymer, polyethylene-based resin composition and use thereof, catalyst component for olefin polymerization, olefin polymerization catalyst containing the component, and method for producing ethylene-based polymer by using the catalyst JAPAN POLYETHYLENE CORPORATION (JP) 2018-05-22 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 (2 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-10975184-B2 High-density ethylene-based polymer using hybrid supported metallocene catalyst and pipe using same EEF1E1, EPN1, EEF1A1 HTR6 4250/4885PDPK1 1331/4885IDO1 4352/4885
US-20200190238-A1 HIGH-DENSITY ETHYLENE-BASED POLYMER USING HYBRID SUPPORTED METALLOCENE CATALYST AND PIPE USING SAME EEF1E1, EPN1, EEF1A1 HTR6 4250/4885PDPK1 1331/4885IDO1 4352/4885

“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.