SCHEMBL6133219

SCHEMBL6133219

C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC.C=CCOC(=O)C(=C)C=CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
HCAR2 Q8TDS4 4/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 4/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 5/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL6133308 0.94 TSHR (0.64) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL3414119 0.93 TSHR (0.66) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL7207107 0.93 TSHR (0.62) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL5718145 0.90 TSHR (0.62) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL7263921 0.89 TSHR (0.58) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL6915106 0.89 TSHR (0.57) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL1547531 0.87 TSHR (0.67) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL6914564 0.86 TSHR (0.60) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL8519821 0.86 TSHR (0.54) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL11359985 0.85 TSHR (0.64) TSHRHCAR2HPGDTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050226919-A1 Device for transdermal administration for the treatment of urinary tract disorders AR, CYP17A1, TACR1 TSHR 465/4885HCAR2 504/4885HPGD 287/4885

“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.