SCHEMBL5010699

SCHEMBL5010699

[CH2]CCC(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.64
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
ACP3 P15309 3/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.37

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
SCHEMBL5011023 0.91 SLC6A4 (0.51) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL5010133 0.85 SLC6A4 (0.58) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL16721029 0.82 SLC6A4 (0.64) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL11081859 0.82 SLC6A4 (0.69) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL6006319 0.82 SLC6A4 (0.64) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL12506240 0.79 SLC6A4 (0.65) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL3246866 0.79 ALDH1A1 (0.54) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL6380326 0.79 SLC6A4 (0.49) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL613009 0.78 SLC6A4 (0.58) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL4949690 0.76 CYP2C9 (0.47) SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-6794365-B2 INHIBITORS OF THE BLOOD CLOTTING ENZYME FACTOR XA; TREATING THROMBOEMBOLIC DISEASES; TRIFLUOROACETIC ACID SALT OF 2-(4-CARBAMIMIDOYL-BENZYL)-N-((1-CARBAMOYL-4-GUANIDINO-BUTYLCARBAMOYL) -CYCLOHEXYL-METHYL)-N',N'-DIMETHYL-MALONAMIDE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-21 US disclosed
US-6759420-B1 LOW MOLECULAR WEIGHT, FACTOR XA SPECIFIC BLOOD CLOTTING INHIBITORS WITHOUT SIDE EFFECTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
CN-1406226-A Novel malonic acid derivatives, process for their preparation, their use as inhibitors of factor XA activity and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-03-26 CN disclosed
EP-1265867-A1 NOVEL MALONIC ACID DERIVATES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2002-12-18 EP disclosed
US-6395737-B1 ANTICOAGULANTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-28 US disclosed
US-20020022596-A1 Novel malonic acid derivatives, processes for their preparation their use and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-02-21 US disclosed
CN-1332723-A Arylalkanoyl derivatives, processes for their preparation, their use and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2002-01-23 CN disclosed
CN-1332734-A Novel malonic acid derivatives, processes for their preparation, their use and pharmaceutical compositions containing them (inhibition of factor xa activity AVENTIS PHARMA GMBH (DE) 2002-01-23 CN disclosed
EP-1150946-A1 ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
EP-1140878-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ( INHIBITIO OF FACTOR XA ACTIVITY ) Aventis Pharma Deutschland GmbH (DE) 2001-10-10 EP disclosed
WO-2001062735-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-30 WO disclosed
EP-1127884-A1 Novel malonic acid derivatives, processes for their preparation, their use as inhibitor of factor XA activity and pharmaceutical compositions containing them Aventis Pharma Deutschland GmbH (DE) 2001-08-29 EP disclosed
EP-1022268-A1 Arylalkanoyl derivatives, processes for their preparation, their use and pharmaceutical compositions containing them Aventis Pharma Deutschland GmbH (DE) 2000-07-26 EP disclosed
WO-2000040548-A1 ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-07-13 WO disclosed
WO-2000040571-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM (INHIBITION OF FACTOR XA ACTIVITY) AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-07-13 WO disclosed
EP-1016663-A1 Novel malonic acid derivatives, processes for their preparation, their use and pharmaceutical compositions containing them (inhibition of factor Xa activity) Aventis Pharma Deutschland GmbH (DE) 2000-07-05 EP disclosed
EP-0061910-B1 NOVEL SUBSTITUTED IMIDAZOLES AND TRIAZOLES, FUNGICIDAL COMPOSITIONS CONTAINING THEM, THE USE THEREOF FOR COMBATING FUNGI AND PROCESSES FOR THE PREPARATION OF INTERMEDIATES FOR MAKING THE IMIDAZOLES AND TRIAZOLES ROHM AND HAAS COMPANY (US) 1986-08-27 EP disclosed
EP-0061910-A2 Novel substituted imidazoles and triazoles, fungicidal compositions containing them, the use thereof for combating fungi and processes for the preparation of intermediates for making the imidazoles and triazoles ROHM AND HAAS COMPANY (US) 1982-10-06 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-20020022596-A1 Novel malonic acid derivatives, processes for their preparation their use and pharmaceutical compositions containing them F12, ME1, F11 SLC6A4 4454/4885ALDH1A1 129/4885CYP2C9 73/4885

“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.