SCHEMBL722470

SCHEMBL722470

COCOc1ccc(I)nc1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 2/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ3 P48549 1/20 0.32
CACNA2D1 P54289 2/20 0.32
PTGDR Q13258 1/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 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
SCHEMBL8758607 0.79 MAPT (0.35) ALDH1A1NPC1HPGDRAB9A
SCHEMBL12036727 0.75 AAK1 (0.41) KDM4E
SCHEMBL6709710 0.73 S1PR4 (0.36)
SCHEMBL8757626 0.72 PDE10A (0.36) PTGDR2ALDH1A1PDE10AKCNJ6KCNJ3
SCHEMBL8757587 0.72 PDE10A (0.35) PTGDR2ALDH1A1NPC1RAB9APDE10A
SCHEMBL8756833 0.72 PDE10A (0.35) PTGDR2ALDH1A1NPC1RAB9APDE10A
SCHEMBL8755721 0.72 PDE10A (0.36) PTGDR2ALDH1A1PDE10AKCNJ6KCNJ3
SCHEMBL8757569 0.71 PDE10A (0.34) PTGDR2PDE10AKCNJ6KCNJ3PTGDR
SCHEMBL8818362 0.71 MBOAT4 (0.32) PDE10A
SCHEMBL8757753 0.71 PDE10A (0.33) PDE10AKCNJ6KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459185-B Novel thyroid hormone beta receptor agonist MITSUBISHI TANABE PHARMA CORP 2015-06-03 CN disclosed
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 US disclosed
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 US disclosed
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 US disclosed
US-8748620-B2 2014-06-10 US disclosed
US-8748620-B2 2014-06-10 US disclosed
US-8748620-B2 2014-06-10 US disclosed
EP-2423194-B1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2014-04-16 EP disclosed
US-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-24 US disclosed
US-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-24 US disclosed
US-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-24 US disclosed
CN-102459185-A Novel thyroid hormone beta receptor agonist MITSUBISHI TANABE PHARMA CORP 2012-05-16 CN disclosed
EP-2423194-A1 NOVEL THYROID HORMONE beta RECEPTOR AGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 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-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST THRB, TSHR, THRA PTGDR2 284/4885ALDH1A1 1797/4885KDM4E 3828/4885

“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.