SCHEMBL4576766

SCHEMBL4576766

CC(C)=[Zr+2](C1C=Cc2ccccc21)C1C=Cc2ccccc21.[H-].[H-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
HTR6 P50406 1/20 0.33
SIGMAR1 Q99720 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
Hydrochloric Acid SCHEMBL7996358 0.96 HTR2A (0.33) HTR2AHTR6SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL273051 0.96 HTR2A (0.33) HTR2AHTR6SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL29790372 0.96 HTR2A (0.33) HTR2AHTR6SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL29923024 0.85
Hydrochloric Acid SCHEMBL3372511 0.84 POLB (0.33) MEN1KMT2ALMNACYP2D6
Trifluoromethanesulfonic Acid SCHEMBL7199726 0.82 GPR3 (0.35) MEN1KMT2ABRD4CCL2KCNH2
Hydrochloric Acid SCHEMBL8156903 0.81
Hydrochloric Acid SCHEMBL7947296 0.81 MEN1 (0.35) HTR2AHTR6SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL437960 0.81 MEN1 (0.35) HTR2AHTR6SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL438164 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
EP-1448568-A4 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEM PATENTS INC (US) 2008-02-13 EP disclosed
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US disclosed
US-6909008-B2 Cocatalyst compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-06-21 US disclosed
US-20050049436-A1 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. 2005-03-03 US disclosed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US disclosed
US-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-07 US disclosed
EP-1463738-A1 PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES Exxonmobil Chemical Patents Inc. (US) 2004-10-06 EP disclosed
EP-1448568-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS ExxonMobil Chemical Patents Inc. (US) 2004-08-25 EP disclosed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US disclosed
US-5973084-A HOMO OR COPOLYMERIZING AN ALPHA-OLEFIN IN PRESENCE OF A CATALYTIC SYSTEM CONTAINING METALLOCENE TYPE TRANSITIONAL METAL COMPOUND, AN ION EXCHANGED LAYERED COMPOUND OTHER THAN SILICATE AND AN INORGANIC ACID OR SALT TREATED SILICATE MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-26 US disclosed
US-5928982-A METALLOCENE TRANSITION METAL COMPOUND, (1) AN ION-EXCHANGING LAYERED COMPOUND OTHER THAN A SILICATE OR (2) AN INORGANIC SILICATE PREPARED BY TREATING A STARTING ION-EXCHANGING LAYER COMPOUND OTHER THAN A SILICATE OR A STARTING SILICATE WITH A MITSUBISHI CHEMICAL CORPORATION (JP) 1999-07-27 US disclosed
EP-0874006-A1 Polymerisation of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 1998-10-28 EP disclosed
EP-0511665-B1 Catalyst for polymerizing an olefin and method for producing an olefin polymer MITSUBISHI CHEM CORP (JP) 1998-07-22 EP disclosed
EP-0839842-A2 Ethylene-alpha-olefin copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-06 EP disclosed
EP-0778293-A2 Process for producing olefin polymer MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-11 EP disclosed
EP-0698621-A1 Catalyst for polymerizing an olefin and method for producing an olefin polymer MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-28 EP disclosed
EP-0683180-A2 Catalyst for polymerizing an olefin and method for polymerizing the olefin MITSUBISHI CHEMICAL CORPORATION (JP) 1995-11-22 EP disclosed
US-5308811-A Catalyst for polymerizing an olefin and method for producing an olefin polymer MITSUBISHI KASEI CORPORATION (JP) 1994-05-03 US disclosed
EP-0511665-A2 Catalyst for polymerizing an olefin and method for producing an olefin polymer Mitsubishi Chemical Corporation (JP) 1992-11-04 EP 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 (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-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS AADAC, NAA15, ALG8 HTR2A 2972/4885HTR6 3150/4885SIGMAR1 2421/4885
US-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B HTR2A 4018/4885HTR6 3660/4885SIGMAR1 708/4885

“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.