SCHEMBL3219307

SCHEMBL3219307

CCOC(=O)CN(CC(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)NC3CC4CCC3C4)c2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSP90AA1 P07900 1/20 0.38
EPHX2 P34913 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CNR2 P34972 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.36
CNR1 P21554 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 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
SCHEMBL4170419 0.94 POLB (0.41) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL3227781 0.92 KMT2A (0.41) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL4170417 0.86 POLB (0.34) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL3223456 0.85 HSP90AA1 (0.48) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL4251171 0.83 TAS1R3 (0.40) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL3219302 0.83 EPHX2 (0.40) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL3959135 0.82 KMT2A (0.38) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL3222490 0.79 THRB (0.44) KMT2AALDH1A1EPHX2CNR2MAPT
SCHEMBL3216081 0.78 F2 (0.39) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL3226082 0.78 ALDH1A1 (0.45) KMT2AMEN1TDP1POLBALDH1A1

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 KMT2A 4326/4885MEN1 1434/4885TDP1 1831/4885

“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.