SCHEMBL282527

SCHEMBL282527

Cc1cc(O)cc(C)c1Cc1ccc(N)c(C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.63
THRA P10827 15/20 0.51
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL25983465 0.86 THRB (0.53) THRBTHRAESR1ESR2
SCHEMBL328377 0.84 THRB (0.67) THRBTHRAESR1ESR2
SCHEMBL282437 0.82 THRB (0.50) THRBTHRAESR1ESR2OPRK1
SCHEMBL100769 0.80 THRB (0.51) THRBTHRAKDM4EMEN1POLB
SCHEMBL29942793 0.80 THRB (0.51) THRBTHRAKDM4EMEN1POLB
SCHEMBL282445 0.79 THRB (0.49) THRBTHRAOPRK1
SCHEMBL3937517 0.79 THRB (0.52) THRBTHRAKDM4EMEN1POLB
SCHEMBL27702889 0.79 THRB (0.64) THRBTHRAESR1ESR2
SCHEMBL328479 0.78 THRB (0.50) THRBTHRA
SCHEMBL282232 0.78 THRB (0.48) THRBTHRAOPRK1

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 6/4885THRA 2/4885KDM4E 4102/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 THRB 6/4885THRA 2/4885KDM4E 4102/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB THRB 3/4885THRA 1/4885KDM4E 4477/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE THRB 41/4885THRA 14/4885KDM4E 4083/4885

“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.