SCHEMBL726432

SCHEMBL726432

C=CC(=O)OCC(CC)CCCC.C=COC(C)=O.CCOC(=O)C(C=CC(=O)O)=CO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 3/20 0.36
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 5/20 0.36
ALDH1A1 P00352 4/20 0.35
CA2 P00918 1/20 0.35
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8746231 0.87 TSHR (0.62) TSHRTDP1CYP3A4ATMHCAR2
Acrylic Acid Ethyl Ester SCHEMBL11247075 0.86 TSHR (0.69) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL6133463 0.85 TSHR (0.64) TSHRTDP1CYP3A4ATMALDH1A1
Acrylic Acid SCHEMBL11282590 0.84 TSHR (0.71) TSHRTDP1CYP3A4ATMHCAR2
Acrylic Acid SCHEMBL516623 0.84 TSHR (0.74) TSHRTDP1CYP3A4ATMHCAR2
Acrylic Acid Ethyl Ester SCHEMBL11247076 0.84 TSHR (0.55) TSHRTDP1CYP3A4ATMHCAR2
Ethyl Fumarate SCHEMBL11211795 0.83 TSHR (0.76) TSHRTDP1CYP3A4ATMHCAR2
Ethyl Fumarate SCHEMBL11211796 0.83 TSHR (0.76) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL560438 0.83 TSHR (0.81) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL9422195 0.83 TSHR (0.62) TSHRTDP1CYP3A4ATMHCAR2

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-9238025-B2 Transdermal preparation comprising a ropinirole derivative HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2016-01-19 US disclosed
EP-2438917-B1 TRANSDERMAL PREPARATION HISAMITSU PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-20120052113-A1 TRANSDERMAL PREPARATION HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-03-01 US disclosed
US-20080226697-A1 Patch for External Use with Elevated Content of Absorption Promoter in Pressure-Sensitive Adhesive Base HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2008-09-18 US 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-20120052113-A1 TRANSDERMAL PREPARATION HTR3D, HTR5A, HTR1E TSHR 3182/4885TDP1 2612/4885CYP3A4 68/4885

“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.