SCHEMBL699157

SCHEMBL699157

C=CCN(CC=C)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
TSHR P16473 4/20 0.39
TTR P02766 2/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 2/20 0.37
CYP1A2 P05177 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP2C9 P11712 2/20 0.35
CHKA P35790 1/20 0.33
OPRM1 P35372 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 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
SCHEMBL13128979 0.88 PTGS1 (0.33) HSD17B10ALDH1A1ALOX15PTGS1PTGS2
SCHEMBL13129858 0.85 PTPN1 (0.33) CYP3A4CYP1A2CYP2C9PTPN1
SCHEMBL8761582 0.80 CRHR1 (0.33) CHKAS1PR1
SCHEMBL18127463 0.77 OPRM1 (0.37) CYP3A4ALDH1A1CHKAOPRM1ESR1
SCHEMBL8224671 0.77 OPRM1 (0.37) TSHRCYP3A4ALDH1A1CHKAOPRM1
SCHEMBL8761811 0.76 CYP3A4 (0.39) HSD17B10TSHRTTRCYP3A4RECQL
SCHEMBL3210076 0.73 TSHR (0.50) HSD17B10TSHRTTRCYP3A4RECQL
SCHEMBL479903 0.70 HPGD (0.40) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3054197 0.68 TRPV4 (0.43) PGRARKCNH2
SCHEMBL15324519 0.68 CRHR1 (0.41) TSHRALDH1A1CHKALMNAHTR1A

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
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
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 HSD17B10 898/4885TSHR 2/4885TTR 418/4885

“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.