SCHEMBL282231

SCHEMBL282231

COc1ccc(Cc2cc(C)c(O)cc2C)c(C)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
TUBB1 Q9H4B7 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
FOS P01100 1/20 0.33
TTR P02766 1/20 0.33
JUN P05412 1/20 0.33
NR3C1 P04150 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
CNR2 P34972 2/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL282797 0.81 HTR2A (0.43) CNR2
SCHEMBL4962765 0.80 HMGCR (0.41) ELANETUBB1LDHALDHB
SCHEMBL13381902 0.78 THRA (0.39) ELANEGAAMAPT
SCHEMBL29713830 0.72 ALDH1A1 (0.52) ALOX15ALOX12MAPTTSHRMAPK1
SCHEMBL224889 0.72 ALDH1A1 (0.52) ALOX15ALOX12MAPTTSHRMAPK1
SCHEMBL68975 0.70 AMY1A (0.37) ALOX15ALOX12GAAMAPTMAPK1
SCHEMBL26664820 0.70 HMGCR (0.46) ALOX15TUBB1MAPTTSHRMAPK1
SCHEMBL282461 0.70 ESR1 (0.39) NR3C1LDHALDHBSLC5A1SLC5A2
SCHEMBL19122644 0.69 PDE3B (0.40) TUBB1GAAMAPTTSHR
SCHEMBL19121828 0.68 ACHE (0.39) ALOX15ALOX12GAAMAPTTSHR

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 ELANE 2996/4885ALOX15 1968/4885ALOX12 2468/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ELANE 2996/4885ALOX15 1968/4885ALOX12 2468/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ELANE 3647/4885ALOX15 1467/4885ALOX12 1483/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ELANE 2865/4885ALOX15 1277/4885ALOX12 1657/4885

“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.