SCHEMBL6133463

SCHEMBL6133463

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
RECQL P46063 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CA2 P00918 2/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 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
SCHEMBL6132983 0.96 TSHR (0.59) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL5516868 0.92 TSHR (0.76) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL14777949 0.92 TSHR (0.76) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid Ethyl Ester SCHEMBL158380 0.91 TSHR (0.74) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid Ethyl Ester SCHEMBL11247075 0.90 TSHR (0.69) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid SCHEMBL10615547 0.90 TSHR (0.72) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL560438 0.89 TSHR (0.81) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid SCHEMBL516623 0.88 TSHR (0.74) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid SCHEMBL11282590 0.86 TSHR (0.71) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid Ethyl Ester SCHEMBL1546928 0.86 TSHR (0.63) TSHRCYP3A4TDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573048-B Composition for promoting induction of humoral immunity and vaccine pharmaceutical composition 日东电工株式会社 2021-11-09 CN disclosed
CN-106687138-B Vaccine pharmaceutical composition for cellular immunization comprising bisphosphonate agent 日东电工株式会社 2021-10-15 CN disclosed
CN-106535933-B Composition for promoting induction of immunity, which contains nuclear receptor ligand, and vaccine pharmaceutical composition 日东电工株式会社 2021-09-17 CN disclosed
CN-106573057-B Humoral immunity induction promoting composition and vaccine pharmaceutical composition containing therapeutic agent for thrombosis 日东电工株式会社 2021-01-08 CN disclosed
US-20120251610-A1 NICOTINE-CONTAINING PATCH PREPARATION NITTO DENKO CORPORATION (JP) 2012-10-04 US disclosed
EP-2505194-A2 Nicotine-containing patch preparation Nitto Denko Corporation (JP) 2012-10-03 EP 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 (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 465/4885CYP3A4 880/4885TDP1 4163/4885

“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.