SCHEMBL4872283

SCHEMBL4872283

C1=CC(C(c2ccccc2)c2ccccc2)=C([Ti]C2=C(C(c3ccccc3)c3ccccc3)C=CC2)C1.[H-].[H-]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL4868019 0.85
SCHEMBL3844726 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7941030 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4599967 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL3844723 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4599972 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4576435 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL12814722 0.67 CYP2D6 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL16317535 0.66 KDM4E (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL2501806 0.66

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 11 patents. 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
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-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP disclosed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US disclosed
WO-2003051892-A1 PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-26 WO disclosed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO 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 SLC6A2 4749/4885SLC6A4 4457/4885SLC6A3 4086/4885
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.