SCHEMBL561230

SCHEMBL561230

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.69
HPGD P15428 1/20 0.46
CYP3A4 P08684 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 2/20 0.44
RECQL P46063 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 3/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL6416885 0.98 TSHR (0.66) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL560619 0.97 TSHR (0.64) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL6133965 0.93 TSHR (0.72) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid Methyl Ester SCHEMBL28779743 0.93 TSHR (0.59) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL560438 0.93 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL6133740 0.92 TSHR (0.62) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL5516865 0.91 TSHR (0.83) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL16151343 0.89 TSHR (0.67) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL516623 0.89 TSHR (0.74) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL6746745 0.88 TSHR (0.66) TSHRHPGDCYP3A4TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431034-B1 ADHESIVE PATCH-CONTAINING PACKAGE BAG AND METHOD FOR STORING ADHESIVE PATCH HISAMITSU PHARMACEUTICAL CO (JP) 2016-08-10 EP disclosed
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-8383149-B2 High enhancer-loading polyacrylate formulation for transdermal applications ALZA CORPORATION (US) 2013-02-26 US disclosed
US-20120090275-A1 ADHESIVE PATCH-CONTAINING PACKAGE BAG AND METHOD FOR STORING ADHESIVE PATCH HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-04-19 US disclosed
EP-2431034-A1 ADHESIVE PATCH-CONTAINING PACKAGE BAG AND METHOD FOR STORING ADHESIVE PATCH Hisamitsu Pharmaceutical Co., Inc. (JP) 2012-03-21 EP disclosed
US-20120052113-A1 TRANSDERMAL PREPARATION HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-03-01 US disclosed
US-20120031047-A1 METHOD FOR STORING TRANSDERMALLY/TRANSMUCOSALLY ABSORBABLE PREPARATION AND PACKAGE OF TRANSDERMALLY/TRANSMUCOSALLY ABSORBABLE PREPARATION HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-02-09 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
US-20070098771-A1 High enhancer-loading polyacrylate formulation for transdermal applications ALZA CORPORATION 2007-05-03 US disclosed
US-20060240086-A1 Adhesive patch HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2006-10-26 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 3182/4885HPGD 609/4885CYP3A4 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.