SCHEMBL282529

SCHEMBL282529

COc1c(F)cc(Br)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
APLNR P35414 4/20 0.39
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL3640929 0.86 GABRA1 (0.54) GABRA1GABRB1POLBGAAGFER
SCHEMBL10986 0.81 CA2 (0.41) MAPTHSD17B10CA2CA4MAPK1
SCHEMBL16386817 0.80 HTR7 (0.32) POLBGAAGFER
SCHEMBL17658856 0.78 ACHE (0.40) POLBGAAGFER
SCHEMBL13747710 0.78 GABRA1 (0.47) GABRA1GABRB1MAPTPOLBGAA
Iodomethane SCHEMBL4667431 0.77 HSD17B10 (0.38) MAPTHSD17B10CA2CA4MAPK1
SCHEMBL17658897 0.77 GABRA1 (0.45) GABRA1GABRB1MAPTPOLBGAA
SCHEMBL17875684 0.75 HSD17B10 (0.50) MAPTGAAHSD17B10CA2CA4
SCHEMBL16596076 0.74 ALOX15 (0.34) APLNRMAPTHSD17B10NPSR1
SCHEMBL930657 0.74 KDM4E (0.40) MAPTGAAHSD17B10CA2CA4

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 9 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
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN 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 GABRA1 4329/4885GABRB1 4592/4885APLNR 1666/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 GABRA1 4329/4885GABRB1 4592/4885APLNR 1666/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB GABRA1 4169/4885GABRB1 4436/4885APLNR 1122/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE GABRA1 4212/4885GABRB1 4593/4885APLNR 1279/4885

“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.