SCHEMBL5614697

SCHEMBL5614697

CN(C)[Zr](Cc1ccccc1)(Cc1ccccc1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
AOC3 Q16853 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TP53 P04637 1/20 0.42
CALM1 P0DP23 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL6911396 0.80 TSHR (0.48) TSHRALDH1A1AOC3TAAR1TP53
SCHEMBL6904854 0.80 TSHR (0.48) TSHRALDH1A1AOC3TAAR1TP53
SCHEMBL6913522 0.76 TP53 (0.44) TSHRALDH1A1AOC3TAAR1TP53
SCHEMBL6913267 0.73 SIGMAR1 (0.42) TSHRALDH1A1AOC3TAAR1TP53
SCHEMBL6904976 0.70 KCNH2 (0.42) TP53SIGMAR1SLC6A2SLC6A4ADRA1A
SCHEMBL272369 0.69 CALM1 (0.50) TSHRALDH1A1TAAR1TP53CALM1
SCHEMBL28833326 0.67 CALM1 (0.47) TSHRALDH1A1TAAR1TP53CALM1
Water SCHEMBL9141797 0.67 CALM1 (0.47) TSHRALDH1A1TAAR1TP53CALM1
SCHEMBL6915634 0.67 TSHR (0.47) TSHRALDH1A1AOC3TAAR1TP53
SCHEMBL6905115 0.67 TP53 (0.44) TSHRALDH1A1AOC3TAAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288953-B1 BIS(AMINOPHENYLPHENOL) LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM UNIVATION TECH LLC (US) 2021-01-06 EP disclosed
US-10696641-B2 Bis(aminophenylphenol) ligands and transition metal catalysts prepared therefrom UNIVATION TECHNOLOGIES, LLC (US) 2020-06-30 US disclosed
US-10689314-B2 Methods for preparing bridged bi-aromatic ligands UNIVATION TECHNOLOGIES, LLC (US) 2020-06-23 US disclosed
US-10654029-B2 Bridged bi-aromatic ligands and olefin polymerization catalysts prepared therefrom UNIVATION TECHNOLOGIES, LLC (US) 2020-05-19 US disclosed
EP-3632920-A1 METHODS FOR PREPARING BRIDGED BI-AROMATIC LIGANDS Univation Technologies, LLC (US) 2020-04-08 EP disclosed
EP-3286162-B1 METHODS FOR PREPARING BRIDGED BI-AROMATIC LIGANDS UNIVATION TECH LLC (US) 2019-10-23 EP disclosed
EP-3285923-B1 BRIDGED BI-AROMATIC LIGANDS AND OLEFIN POLYMERIZATION CATALYSTS PREPARED THEREFROM UNIVATION TECH LLC (US) 2019-07-17 EP disclosed
US-20190111414-A1 BRIDGED BI-AROMATIC LIGANDS AND OLEFIN POLYMERIZATION CATALYSTS PREPARED THEREFROM UNIVATION TECHNOLOGIES, LLC (US) 2019-04-18 US disclosed
US-10252967-B2 Bridged bi-aromatic ligands and transition metal compounds prepared therefrom UNIVATION TECHNOLOGIES, LLC (US) 2019-04-09 US disclosed
US-10239809-B2 Methods for preparing bridged bi-aromatic ligands UNIVATION TECHNOLOGIES, LLC (US) 2019-03-26 US disclosed
WO-2003051936-A1 BIDENTATE LIGAND BASED CATALYST FOR THE POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, LLC (US) 2003-06-26 WO disclosed
EP-0993464-B1 CATALYST FOR THE PRODUCTION OF OLEFIN POLYMERS UNION CARBIDE CHEM PLASTIC (US) 2003-04-16 EP disclosed
WO-2002090366-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING A PYRROLE BISIMINE LIGAND UNIVATION TECHNOLOGIES, LLC (US) 2002-11-14 WO disclosed
WO-2002053603-A2 POLYMERIZATION CATALYST SYSTEM, POLYMERIZATION PROCESS AND POLYMER THEREFROM UNIVATION TECHNOLOGIES, LLC (US) 2002-07-11 WO disclosed
US-20020086960-A1 Polymerization catalyst system, polymerization process and polymer therefrom UNIVATION TECHNOLOGIES, LLC 2002-07-04 US disclosed
US-20020065379-A1 Catalyst for the production of olefin polymers MURRAY REX EUGENE (US) 2002-05-30 US disclosed
US-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 US disclosed
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
US-6103657-A Catalyst for the production of olefin polymers UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-08-15 US disclosed
US-6096676-A METALLOCENE COORDINATION CATALYSTS BASED ON A GROUP IVB METAL AND AN ACTIVATING COCATALYST; ADDITION POLYMERATION OF OLEFINS, ALPHA-OLEFINS AND DIENES; HOMOGENEITY; KINETICS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-08-01 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 (6 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-10696641-B2 Bis(aminophenylphenol) ligands and transition metal catalysts prepared therefrom WASF2, WEE2, THEM6 TSHR 3246/4885ALDH1A1 2023/4885AOC3 2835/4885
US-10689314-B2 Methods for preparing bridged bi-aromatic ligands TYR, AOC2, BICRA TSHR 3980/4885ALDH1A1 1187/4885AOC3 4/4885
US-10654029-B2 Bridged bi-aromatic ligands and olefin polymerization catalysts prepared therefrom WASF2, WEE2, PICALM TSHR 4569/4885ALDH1A1 1801/4885AOC3 220/4885
US-10239809-B2 Methods for preparing bridged bi-aromatic ligands AOC1, TYR, DDT TSHR 4401/4885ALDH1A1 1481/4885AOC3 4/4885
US-20190111414-A1 BRIDGED BI-AROMATIC LIGANDS AND OLEFIN POLYMERIZATION CATALYSTS PREPARED THEREFROM WASF2, WEE2, PICALM TSHR 4569/4885ALDH1A1 1801/4885AOC3 220/4885
US-10252967-B2 Bridged bi-aromatic ligands and transition metal compounds prepared therefrom WEE2, WEE1, AHR TSHR 2885/4885ALDH1A1 1250/4885AOC3 1433/4885

“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.