SCHEMBL283101

SCHEMBL283101

COc1ccc(C(O)c2ccc(OC)c(C(C)C)c2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
THRA P10827 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
SCHEMBL12248178 0.73 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL31003156 0.73 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL282797 0.73 HTR2A (0.43) ADRA2AADRA1ACYP2D6CA12CA1
SCHEMBL6376525 0.73 MTNR1A (0.42) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL848282 0.73 KDM4E (0.49) CYP2D6MEN1KMT2AHTTGAA
SCHEMBL18287881 0.71 ADRA1A (0.68) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL2096168 0.71 CA12 (0.56) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL19122644 0.69 PDE3B (0.40) ADRA1AMEN1KMT2ACA12CA1
SCHEMBL19121828 0.69 ACHE (0.39) ADRA1AMEN1KMT2ACA12CA1
SCHEMBL6825547 0.69 ADRA2A (0.42) ADRA2AADRA1ACYP2D6MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US 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 (4 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 ADRA2A 3338/4885ADRA1A 2767/4885CYP2D6 1066/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ADRA2A 3338/4885ADRA1A 2767/4885CYP2D6 1066/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ADRA2A 2843/4885ADRA1A 2045/4885CYP2D6 1634/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ADRA2A 3672/4885ADRA1A 2915/4885CYP2D6 1667/4885

“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.