SCHEMBL2284258

SCHEMBL2284258

C=C(CC(CC)CCCC)C(=O)O.C=COC(=O)CC=CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
HCAR2 Q8TDS4 3/20 0.31
CA2 P00918 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
SCHEMBL2277103 0.84 TSHR (0.35) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL4374381 0.81 TSHR (0.44) TSHRCYP3A4ATMTDP1RECQL
Acrylic Acid SCHEMBL5062877 0.81 TSHR (0.45) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL516622 0.81 TSHR (0.66) TSHRCYP3A4ATMTDP1RECQL
Acrylic Acid SCHEMBL4419560 0.79 TSHR (0.50) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL2275748 0.79 TSHR (0.40) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL22081 0.78 CA2 (0.47) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL20609791 0.78 CA2 (0.47) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL1283863 0.77 TSHR (0.60) TSHRCYP3A4ATMTDP1RECQL
Vinyl Chloride SCHEMBL10826111 0.77 TSHR (0.46) TSHRCYP3A4ATMTDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989654-B2 High purity bases of 3,3-diphenylpropylamino monoesters UCB PHARMA GMBH (DE) 2011-08-02 US disclosed
US-20090012159-A1 HIGH PURITY BASES OF 3,3-DIPHENYLPROPYLAMINO MONOESTERS UCB PHARMA GMBH (DE) 2009-01-08 US disclosed
US-20060014832-A1 Highly pure bases of 3,3-dipheyl propylamine monoesters SCHWARZ PHARMA AG (DE) 2006-01-19 US disclosed
US-20050226919-A1 Device for transdermal administration for the treatment of urinary tract disorders UCB PHARMA GMBH (DE) 2005-10-13 US disclosed
EP-1293198-B1 Device for transdermal administration for the treatment of urinary tract disorders SANOL ARZNEI SCHWARZ GMBH (DE) 2005-02-09 EP disclosed
WO-2003024432-A2 DEVICE FOR TRANSDERMAL ADMINISTRATION FOR THE TREATMENT OF URINARY TRACT DISORDERS SCHWARZ PHARMA AG (DE) 2003-03-27 WO disclosed
EP-1293198-A1 Device for transdermal administration for the treatment of urinary tract disorders SCHWARZ PHARMA AG (DE) 2003-03-19 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 (3 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-20060014832-A1 Highly pure bases of 3,3-dipheyl propylamine monoesters ADRB3, DRD3, CYP3A5 TSHR 567/4885CYP3A4 76/4885ATM 2823/4885
US-20090012159-A1 HIGH PURITY BASES OF 3,3-DIPHENYLPROPYLAMINO MONOESTERS CYP11B2, CYP11B1, CYP21A2 TSHR 474/4885CYP3A4 59/4885ATM 4110/4885
US-20050226919-A1 Device for transdermal administration for the treatment of urinary tract disorders AR, CYP17A1, TACR1 TSHR 465/4885CYP3A4 880/4885ATM 4693/4885

“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.