SCHEMBL215394

SCHEMBL215394

CC[NH+](CC)CC.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 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
IDO1 P14902 2/20 0.34
CES2 O00748 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
TACR1 P25103 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
SCHEMBL217662 0.85 CYP3A4 (0.34) PDE2AIDO1CES2CTSSCTSK
Trimethylammonium SCHEMBL219375 0.83 CES2 (0.38) PDE2AIDO1CES2MAPTRAPGEF4
SCHEMBL41567 0.82 CES2 (0.44) PDE2AIDO1CES2CYP3A4TSHR
SCHEMBL134606 0.82 CYP3A4 (0.35) PDE2AIDO1CTSSCTSKCYP3A4
SCHEMBL29853969 0.82 PDE2A (0.36) PDE2AIDO1CES2CTSSCTSK
SCHEMBL30509222 0.81 CES2 (0.39) PDE2AIDO1CES2TSHRMAPT
SCHEMBL5460964 0.80 CES2 (0.42) PDE2AIDO1CES2CYP3A4TSHR
SCHEMBL6866090 0.80 CES2 (0.42) PDE2AIDO1CES2CYP3A4TSHR
SCHEMBL2451170 0.80 CES2 (0.42) PDE2AIDO1CES2CYP3A4TSHR
SCHEMBL3464534 0.80 CES2 (0.42) PDE2AIDO1CES2CYP3A4TSHR

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 901 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
EP-4222180-A1 BIS(HETEROCYCLIC-OLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-08-09 EP 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
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-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
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-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
EP-0792317-B1 LIQUID PVC STABILIZERS AND LUBRICANTS CROMPTON CORP (US) 2004-02-18 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-0418044-B2 Metal complex compounds, process for preparation and method of use DOW CHEMICAL CO (US) 2003-08-20 EP claimed
EP-0418044-B1 Metal complex compounds, process for preparation and method of use DOW CHEMICAL CO (US) 1997-09-10 EP claimed
EP-0765882-A2 Metal complex compounds, process for preparation and method of use THE DOW CHEMICAL COMPANY (US) 1997-04-02 EP 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 (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-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith ODC1, DDT, OXGR1 PDE2A 4203/4885IDO1 145/4885CES2 1107/4885
US-20040266961-A1 Catalyst composition II MLX, CBX2, BMX PDE2A 4778/4885IDO1 652/4885CES2 1386/4885

“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.