SCHEMBL459830

SCHEMBL459830

COc1c(C(C)(C)C)cc(P(Cl)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
PTGS1 P23219 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNFRSF1A P19438 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
DHFR P00374 1/20 0.36
ALOX15 P16050 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16351490 0.87 PTGS2 (0.35) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL4457970 0.83 PTGS2 (0.44) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL1305157 0.81 PTGS2 (0.43) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL14542318 0.81 PTGS2 (0.46) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL1304840 0.81 PTGS2 (0.43) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL21150370 0.79 PTGS2 (0.42) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL6248683 0.78 PTGS2 (0.45) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL7638931 0.78 PTGS2 (0.45) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL16502266 0.76 ALDH1A1 (0.42) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL14026086 0.76 PTGS2 (0.44) PTGS2PTGS1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998255-A Catalytic carboxycarbonylation of olefins to form anhydrides 北卡罗来纳大学教堂山分校 2025-05-13 CN disclosed
CN-113896607-B Olefin oligomerization process using a catalyst comprising a chromium complex having a phosphacycle-containing ligand 陶氏环球技术有限责任公司 2024-04-16 CN disclosed
CN-107548385-B Olefin oligomerization process using catalyst comprising chromium complex with phosphacycle-containing ligand 陶氏环球技术有限责任公司 2022-01-21 CN disclosed
CN-113896607-A Olefin oligomerization process using catalyst comprising chromium complex with phosphacycle-containing ligand 陶氏环球技术有限责任公司 2022-01-07 CN disclosed
CN-107592863-B Chromium complexes with ligands containing phosphacycles and olefin oligomerization catalysts therefrom 陶氏环球技术有限责任公司 2021-09-10 CN disclosed
CN-107567355-B Phosphacycle-containing ligands for chromium complexes and olefin oligomerization catalysts therefrom 陶氏环球技术有限责任公司 2021-07-23 CN disclosed
US-9685674-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode assembly and solid polymer fuel cell each using same TORAY INDUSTRIES, INC. (JP) 2017-06-20 US disclosed
US-20170033387-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME CELLCENTRIC GMBH & CO. KG (DE) 2017-02-02 US disclosed
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 US disclosed
US-20140377686-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY AND SOLID POLYMER FUEL CELL EACH USING SAME TORAY INDUSTRIES, INC. (JP) 2014-12-25 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
EP-2614069-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS Kanata Chemical Technologies Inc. (CA) 2013-07-17 EP disclosed
WO-2012031358-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-15 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 (1 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-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS AGPS, COASY, BLVRB PTGS2 1878/4885PTGS1 3009/4885ALDH1A1 1187/4885

“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.