SCHEMBL282797

SCHEMBL282797

COc1ccc(Cc2ccc(OC)c(C(C)C)c2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
CYP2D6 P10635 1/20 0.41
CNR2 P34972 1/20 0.41
APLNR P35414 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
RAD52 P43351 1/20 0.39
IDO1 P14902 2/20 0.39
ADRA1A P35348 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ADRA2A P08913 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL282231 0.81 ELANE (0.37) CNR2
SCHEMBL11295684 0.79 GPR84 (0.47) CNR2APLNRCA12CA1CA2
SCHEMBL4187648 0.79 ALOX5 (0.42) CNR2APLNRCA12CA1CA2
SCHEMBL26044014 0.78 CNR2 (0.43) HTR2ACNR2APLNRCA12CA1
SCHEMBL283101 0.73 ADRA2A (0.44) HTR2ACYP2D6CA12CA1CA2
SCHEMBL13381902 0.73 THRA (0.39) HSD17B10
SCHEMBL7367350 0.71 HTR2A (0.37) HTR2ATAAR1HSD17B10
SCHEMBL19122644 0.70 PDE3B (0.40) CA12CA1CA2CA7CA9
SCHEMBL19121828 0.70 ACHE (0.39) CA12CA1CA2CA7CA9
SCHEMBL13186415 0.70 GAA (0.50) HTR2AAPLNRTAAR1

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 HTR2A 2491/4885CYP2D6 1066/4885CNR2 3067/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 HTR2A 2491/4885CYP2D6 1066/4885CNR2 3067/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB HTR2A 2267/4885CYP2D6 1634/4885CNR2 2702/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE HTR2A 2335/4885CYP2D6 1667/4885CNR2 2777/4885

“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.