SCHEMBL3844723

SCHEMBL3844723

C1=CC(C(c2ccccc2)c2ccccc2)=C([Zr+2]C2=C(C(c3ccccc3)c3ccccc3)C=CC2)C1.[H-].[H-]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
KCNA5 P22460 2/20 0.31
CYP2C19 P33261 2/20 0.31
KCNH2 Q12809 2/20 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
SCHEMBL4577416 0.85
Hydrochloric Acid SCHEMBL5609416 0.78 CACNA1G (0.33)
Hydrochloric Acid SCHEMBL7551919 0.76 CYP2C9 (0.35) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4599972 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7941030 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL3844726 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4599967 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP2C9CYP2C19
SCHEMBL4872283 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4576435 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL3843368 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949278-B2 Polymeric product produced with catalyst comprising an ion pair EXXONMOBIL CHEM PATENTS INC (US) 2009-11-04 EP disclosed
EP-0627448-B2 Supported ionic metallocene catalysts for olefin polymerization EXXONMOBIL CHEM PATENTS INC (US) 2008-03-19 EP disclosed
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
EP-0478913-B2 Catalysts and polymerization processes wherein these catalysts are used EXXONMOBIL CHEM PATENTS INC (US) 2007-01-03 EP disclosed
EP-0521908-B2 CATALYST SYSTEM OF ENHANCED PRODUCTIVITY EXXONMOBIL CHEM PATENTS INC (US) 2006-10-18 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
EP-0949279-B1 Process for the preparation of a polymeric product with a catalyst consisting of an ion pair EXXONMOBIL CHEM PATENTS INC (US) 2005-01-05 EP disclosed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US disclosed
US-5198401-A Ionic metallocene catalyst compositions EXXON CHEMICAL PATENTS INC. (US) 1993-03-30 US disclosed
EP-0521908-A1 CATALYST SYSTEM OF ENHANCED PRODUCTIVITY. EXXON CHEMICAL PATENTS INC (US) 1993-01-13 EP disclosed
US-5153157-A Catalyst system of enhanced productivity EXXON CHEMICAL PATENTS INC. (US) 1992-10-06 US disclosed
EP-0478913-A1 Catalysts and polymerization processes wherein these catalysts are used EXXON CHEMICAL PATENTS INC. (US) 1992-04-08 EP disclosed
EP-0468537-A1 Catalysts, method of preparing these catalysts and method of using said catalysts EXXON CHEMICAL PATENTS INC. (US) 1992-01-29 EP disclosed
WO-1991014713-A1 CATALYST SYSTEM OF ENHANCED PRODUCTIVITY EXXON CHEMICAL PATENTS INC. (US) 1991-10-03 WO disclosed
WO-1991012285-A1 BLOCK COPOLYMERS FROM IONIC CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1991-08-22 WO disclosed
WO-1988005793-A1 CATALYSTS, METHOD OF PREPARING THESE CATALYSTS AND METHOD OF USING SAID CATALYSTS EXXON CHEMICAL PATENTS, INC. (US) 1988-08-11 WO disclosed
EP-0277003-A1 Catalysts, method of preparing these catalysts, and polymerization processes wherein these catalysts are used EXXON CHEMICAL PATENTS INC. (US) 1988-08-03 EP disclosed
EP-0277004-A1 Catalysts, method of preparing these catalysts and method of using said catalysts EXXON CHEMICAL PATENTS INC. (US) 1988-08-03 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 (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-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B SLC6A2 2943/4885SLC6A4 1926/4885SLC6A3 1512/4885

“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.