SCHEMBL218368

SCHEMBL218368

Cc1cccc(C)c1[PH+](c1c(C)cccc1C)c1c(C)cccc1C.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 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
TRPA1 O75762 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL814821 0.84 ACHE (0.32) ACHE
SCHEMBL812513 0.81
SCHEMBL29393435 0.79 TRPA1 (0.32) ACHETRPA1
SCHEMBL619598 0.79 TRPA1 (0.32) ACHETRPA1
O-Xylene SCHEMBL30509215 0.79 TSHR (0.48) ACHECYP1A2CYP2A6CA1CA2
O-Xylene SCHEMBL30386408 0.79 TSHR (0.48) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL217304 0.78 ACHE (0.37) ACHE
SCHEMBL1452264 0.78 ACHE (0.34) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL30746773 0.78 CYP2A6 (0.37) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL30468920 0.78 ACHE (0.34) ACHECYP1A2CYP2A6CA1CA2

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 1497 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-09-19 US claimed
EP-4222180-A1 BIS(HETEROCYCLIC-OLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-08-09 EP claimed
EP-4196507-A1 CYCLIC CONTAINING POLYMER COMPOSITIONS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND PROCESS FOR PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-06-21 EP claimed
CN-113423744-B Lewis base catalyst and method thereof 埃克森美孚化学专利公司 2023-05-05 CN claimed
CN-111491952-B Process for preparing polyolefins using supported hybrid metallocene catalysts LG化学株式会社 2023-02-28 CN claimed
US-11560441-B2 Method for preparing polyolefin using supported hybrid metallocene catalyst LG CHEM, LTD. 2023-01-24 US claimed
EP-4103631-A1 ETHYLENE-ALPHA-OLEFIN-DIENE MONOMER COPOLYMERS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2022-12-21 EP claimed
EP-4103630-A1 PROPYLENE COPOLYMERS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2022-12-21 EP claimed
EP-4103629-A1 POLYETHYLENE COMPOSITIONS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2022-12-21 EP claimed
EP-4103628-A1 PROPYLENE POLYMERS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2022-12-21 EP claimed
US-20040122191-A1 Supercritical polymerization process and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC 2004-06-24 US claimed
WO-2004026923-A2 SUPERCRITICAL POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-04-01 WO claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
US-6656866-B2 Metallocene and non-metallocene, homogeneous catalysts, particularly for use in the economical gas and slurry phase processes; spray dried olefin polymerization catalysts UNIVATION TECHNOLOGIES, LLC 2003-12-02 US claimed
US-20030207762-A9 CATALYST PREPARATION METHOD UNIVATION TECHNOLOGIES, LLC 2003-11-06 US claimed
US-6610805-B1 Ligands having a backbone comprised of amine-C-C-X where X is alkoxy or alkylsulfide, for example: 2-(Octylamino)anisole; coordinated with a transition metal and ligand SYMYX TECHNOLOGIES, INC. 2003-08-26 US claimed
US-6593438-B2 Olefin polymerization catalyst system includes an activator, and a catalyst compound comprising a transition metal complexed with facially coordinating tridentate bisamide ligand UNIVATION TECHNOLOGIES, LLC 2003-07-15 US claimed
US-20020119890-A1 Catalyst preparation method WENZEL TIMOTHY T (US) 2002-08-29 US claimed
US-20020103310-A1 Catalyst composition, method of polymerization and polymer therefrom UNIVATION TECHNOLOGIES, LLC 2002-08-01 US claimed
US-20020103071-A1 Catalyst composition and method of polymerization UNIVATION TECHNOLOGIES, LLC 2002-08-01 US claimed

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-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith ODC1, DDT, OXGR1 ACHE 1408/4885TRPA1 2284/4885CYP1A2 746/4885

“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.