SCHEMBL282237

SCHEMBL282237

COc1ccc(Oc2c(C)cc(C(C)C(=O)O)cc2C)cc1C(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.51
RORC P51449 3/20 0.51
THRA P10827 5/20 0.49
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45

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
SCHEMBL7073261 0.88 RORC (0.65) THRBRORCTHRAAKR1C3AKR1C2
SCHEMBL5363051 0.88 THRB (0.58) THRBRORCTHRA
SCHEMBL282165 0.86 THRB (0.53) THRBRORCTHRA
SCHEMBL281894 0.82 THRB (0.56) THRBRORCTHRA
SCHEMBL282179 0.82 THRB (0.56) THRBRORCTHRA
SCHEMBL282114 0.82 THRB (0.51) THRBRORCTHRA
SCHEMBL8892202 0.81 THRB (0.54) THRBRORCTHRA
SCHEMBL7097286 0.81 THRB (0.75) THRBRORCTHRA
SCHEMBL282017 0.80 THRB (0.53) THRBRORCTHRA
SCHEMBL282637 0.79 THRB (0.54) THRBRORCTHRA

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
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
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 THRB 6/4885RORC 648/4885THRA 2/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 THRB 6/4885RORC 648/4885THRA 2/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB THRB 3/4885RORC 656/4885THRA 1/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE THRB 41/4885RORC 781/4885THRA 14/4885

“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.