SCHEMBL3224429

SCHEMBL3224429

CCOC(=O)CN(CC(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(C(C)(C)C)c2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.38
RORC P51449 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
ESRRA P11474 2/20 0.38
THRA P10827 2/20 0.37
GAA P10253 2/20 0.37
PLA2G7 Q13093 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL3223228 0.89 THRB (0.36) THRBRORCALDH1A1ESRRATHRA
SCHEMBL3217882 0.88 ALDH1A1 (0.38) THRBRORCALDH1A1PPARGESRRA
SCHEMBL3965814 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL3219867 0.86 THRB (0.40) THRBRORCALDH1A1PPARGTHRA
SCHEMBL3221894 0.84 RORC (0.58) THRBRORCTHRA
SCHEMBL3216081 0.83 F2 (0.39) THRBRORCALDH1A1PPARGGAA
SCHEMBL3221348 0.82 THRB (0.48) THRBRORCALDH1A1PPARGTHRA
SCHEMBL3229446 0.81 POLB (0.55) THRBRORCALDH1A1GAAMEN1
SCHEMBL3231897 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL3220490 0.78 KMT2A (0.49) THRBALDH1A1THRAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420851-B2 Selective TR-β 1 agonist CADILA HEALTHCARE LIMITED (IN) 2013-04-16 US claimed
EP-2079678-B1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LTD (IN) 2012-12-19 EP claimed
US-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-02-25 US claimed
US-8420851-B2 Selective TR-β 1 agonist CADILA HEALTHCARE LIMITED (IN) 2013-04-16 US disclosed
EP-2079678-B1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LTD (IN) 2012-12-19 EP disclosed
US-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-02-25 US disclosed
EP-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP disclosed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO 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-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST THRB, THRA, TSHR THRB 1/4885RORC 125/4885ALDH1A1 1801/4885

“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.