SCHEMBL217662

SCHEMBL217662

CCC[NH+](CCC)CCC.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PDE2A O00408 1/20 0.33
IDO1 P14902 2/20 0.32
CES2 O00748 1/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL6288802 0.93 CYP3A4 (0.34) CYP3A4MAPK1TSHRTDP1CTSS
SCHEMBL134606 0.89 CYP3A4 (0.35) CYP3A4MAPK1TSHRTDP1CTSS
SCHEMBL215394 0.85 PDE2A (0.35) CYP3A4MAPK1TSHRTDP1CTSS
SCHEMBL23175324 0.81 KIF11 (0.36) CYP3A4MAPK1TSHRPDE2AIDO1
Trimethylammonium SCHEMBL219375 0.80 CES2 (0.38) PDE2AIDO1CES2MAPT
SCHEMBL41567 0.79 CES2 (0.44) CYP3A4MAPK1TSHRTDP1PDE2A
SCHEMBL29853969 0.79 PDE2A (0.36) CYP3A4MAPK1TSHRTDP1CTSS
SCHEMBL628169 0.78 GABRA2 (0.36) CYP3A4MAPK1TSHRTDP1CTSS
SCHEMBL30509222 0.78 CES2 (0.39) TSHRPDE2AIDO1CES2MAPT
SCHEMBL226082 0.77 CES2 (0.42) CYP3A4MAPK1TSHRTDP1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867758-B Metallocene and method thereof 埃克森美孚化学专利公司 2025-04-08 CN claimed
CN-113614123-B Transition metal bis (phenoxide) complexes and their use as olefin polymerization catalysts 埃克森美孚化学专利公司 2024-01-23 CN claimed
US-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-09-19 US claimed
CN-116490528-A Polymer compositions containing cyclics obtained using transition metal bis (phenoxide) catalyst complexes and process for their preparation 埃克森美孚化学专利公司 2023-07-25 CN claimed
CN-116323694-A Bis (heterocyclic-alkoxide) lewis base catalysts and methods thereof 埃克森美孚化学专利公司 2023-06-23 CN 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-113423742-B Bis (arylphenoxide) lewis base catalysts and methods thereof 埃克森美孚化学专利公司 2023-05-05 CN 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
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
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
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
EP-1546223-A2 SUPERCRITICAL POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREFROM ExxonMobil Chemical Patents Inc. (US) 2005-06-29 EP claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US claimed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO claimed
WO-2004026923-A9 SUPERCRITICAL POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEM PATENTS INC (US) 2004-09-10 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP3A4 803/4885MAPK1 2002/4885TSHR 4711/4885
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL CYP3A4 3759/4885MAPK1 2369/4885TSHR 3182/4885
US-20040266961-A1 Catalyst composition II MLX, CBX2, BMX CYP3A4 2959/4885MAPK1 4372/4885TSHR 4496/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 CYP3A4 2753/4885MAPK1 3022/4885TSHR 2600/4885

“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.