SCHEMBL3980338

SCHEMBL3980338

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)c1ccc([N+](=O)[O-])cc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MGLL Q99685 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP19A1 P11511 4/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
ASAH2 Q9NR71 1/20 0.33

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
SCHEMBL6467121 0.87 ALDH1A1 (0.34) KCNH2MAPTALDH1A1MGLLSMN1; SMN2
SCHEMBL31503934 0.81 HTT (0.33) HTT
SCHEMBL23647856 0.80 DNM1 (0.31) SMN1; SMN2MEN1KMT2A
SCHEMBL22283325 0.80 DNM1 (0.31) SMN1; SMN2MEN1KMT2A
SCHEMBL16715253 0.80 DNM1 (0.31) SMN1; SMN2MEN1KMT2A
SCHEMBL29593791 0.80 DNM1 (0.31) SMN1; SMN2MEN1KMT2A
SCHEMBL29970321 0.80 DNM1 (0.31) SMN1; SMN2MEN1KMT2A
SCHEMBL22283328 0.80 DNM1 (0.31) SMN1; SMN2MEN1KMT2A
SCHEMBL30767131 0.80 DNM1 (0.31) SMN1; SMN2MEN1KMT2A
SCHEMBL31503921 0.79 ESR1 (0.38) ALDH1A1MGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299405-B1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2009-05-13 EP claimed
US-6800701-B2 USING COORDINATION CATALYSTS DOW GLOBAL TECHNOLOGIES INC. 2004-10-05 US claimed
US-20030216529-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2003-11-20 US claimed
EP-1299405-A1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 2003-04-09 EP claimed
US-20020062011-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2002-05-23 US claimed
WO-2002002577-A1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGY INC. (US) 2002-01-10 WO claimed
EP-1299405-B1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2009-05-13 EP disclosed
EP-1487886-B1 SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2008-08-06 EP disclosed
US-20080051531-A1 GAS PHASE PROCESS FOR POLYMERS WITH GROUP 4 METAL COMPLEX CATALYST ADDITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2008-02-28 US disclosed
EP-1497301-B1 SUBSTITUTED POLYCYCLIC, FUSED RING METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2006-11-29 EP disclosed
US-7098356-B2 Substituted indenyl metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES INC. (US) 2006-08-29 US disclosed
US-6984602-B2 Olefin polymerization catalysts containing a pyrrole bisimine ligand UNIVATION TECHNOLOGIES, LLC (US) 2006-01-10 US disclosed
US-6946531-B2 Low molecular weight ethylene interpolymers and polymerization process DOW GLOBAL TECHNOLOGIES INC. (US) 2005-09-20 US disclosed
US-20020151662-A1 Substituted polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2002-10-17 US disclosed
WO-2002077045-A2 GAS PHASE PROCESS FOR POLYMERS WITH GROUP 4 METAL COMPLEX CATALYST ADDITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-10-03 WO disclosed
WO-2002074779-A1 METAL COMPLEXES CONTAINING ACETYLENIC LIGANDS, POLYMERIZATION CATALYSTS AND ADDITION POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2002-09-26 WO disclosed
US-20020082161-A1 Diene functionalized catalyst supports and supported catalyst compositions THE DOW CHEMICAL COMPANY 2002-06-27 US disclosed
US-20020062011-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2002-05-23 US disclosed
WO-2002002577-A1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGY INC. (US) 2002-01-10 WO disclosed
US-20010025115-A1 Bridged metal complexes DOW GLOBAL TECHNOLOGIES LLC 2001-09-27 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-20010025115-A1 Bridged metal complexes SLC39A14, NBAS, MCM4 KCNH2 1067/4885MAPT 467/4885ALDH1A1 4718/4885
US-20030216529-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process PIN1, ZC3H18, ORC3 KCNH2 2554/4885MAPT 979/4885ALDH1A1 3449/4885
US-20020062011-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process PIN1, ZC3H18, ORC3 KCNH2 2554/4885MAPT 979/4885ALDH1A1 3449/4885

“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.