SCHEMBL3221389

SCHEMBL3221389

CCC(C)c1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.57
RORC P51449 7/20 0.57
THRA P10827 5/20 0.41
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6818059 0.87 RORC (0.70) THRBRORCTHRA
SCHEMBL5330136 0.86 THRB (0.54) THRBRORCTHRACYP2D6
SCHEMBL5324895 0.84 THRB (0.54) THRBRORCTHRA
SCHEMBL16495807 0.84 THRB (0.54) THRBRORCTHRA
SCHEMBL3229107 0.82 THRB (0.52) THRBRORCTHRACYP2D6MAPT
SCHEMBL16496560 0.81 THRB (0.54) THRBRORCTHRACYP2D6MAPT
SCHEMBL16496559 0.81 THRB (0.54) THRBRORCTHRACYP2D6MAPT
SCHEMBL5353779 0.79 THRB (0.46) THRBRORCTHRA
SCHEMBL5326859 0.79 THRB (0.46) THRBRORCTHRA
SCHEMBL11251015 0.77 CYP2D6 (0.59) ADRA2AADRA1ACYP2D6

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 7 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 disclosed
EP-2079678-B1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LTD (IN) 2012-12-19 EP disclosed
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO 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
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 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 125/4885THRA 2/4885

“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.