SCHEMBL3198233

SCHEMBL3198233

CCCCCCCCCCCCS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.49
THRA P10827 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCHR1 Q99705 1/20 0.45
FAAH O00519 2/20 0.41
CA2 P00918 2/20 0.40
SOAT1 P35610 7/20 0.39

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
SCHEMBL3202798 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL9321240 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL3190130 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL3183775 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL11487812 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL3201268 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL3201840 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL3191168 1.00 THRB (0.49) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL3198273 0.98 ALDH1A1 (0.47) THRBTHRAALDH1A1CYP3A4CYP2C9
SCHEMBL3196071 0.92 ALDH1A1 (0.48) THRBTHRAALDH1A1CYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678907-B2 Halogenation of rylen-carboximides with elementary halogen in a two-phase mixture comprising an organic solvent and water, wherein formed halogen hydroxide is continuously removable from the organic solvent BASF AKTIENGESSELLSCHAFT (DE) 2010-03-16 US disclosed
EP-1802622-B1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF SE (DE) 2008-04-23 EP disclosed
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 US disclosed
EP-1802622-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2007-07-04 EP disclosed
WO-2006037539-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2006-04-13 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 (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-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent CYP8B1, HACL2, CTRB2 THRB 323/4885THRA 270/4885ALDH1A1 1379/4885

“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.