SCHEMBL2535657

SCHEMBL2535657

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCc1c(Br)c(C(=O)O)c(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c(Br)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7077229 0.93 F2 (0.33) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL5611550 0.82 TSHR (0.34) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL7074197 0.76 RARB (0.38) TSHRCYP3A4HCAR2
SCHEMBL1498029 0.74 TSHR (0.44) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL1957697 0.72 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL9222485 0.71 TSHR (0.46) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL5612429 0.70 HCAR2 (0.40) TSHRHCAR2KDM4E
Bicarbonate SCHEMBL9083427 0.70 ALDH1A1 (0.44) TSHRABCB11CYP3A4ADRA2BOPRD1
Bicarbonate SCHEMBL27364872 0.70 ALDH1A1 (0.44) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11757622 0.69 HCAR2 (0.31) HCAR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139869-B2 Reagents for directed biomarker signal amplification SIRIGEN INC. (US) 2015-09-22 US disclosed
US-20140206557-A1 Novel Reagents for Directed Biomarker Signal Amplification SIRIGEN INC. (US) 2014-07-24 US disclosed
US-8575303-B2 Reagents for directed biomarker signal amplification SIRIGEN GROUP LIMITED (GB) 2013-11-05 US disclosed
US-8362193-B2 Reagents for directed biomarker signal amplification SIRIGEN GROUP LIMITED (GB) 2013-01-29 US disclosed
US-20110256550-A1 Novel reagents for directed biomarker signal amplification SIRIGEN, INC. (US) 2011-10-20 US disclosed
US-20110257374-A1 Novel Reagents for Directed Biomarker Signal Amplification SIRIGEN, INC. (US) 2011-10-20 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 (2 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-20110257374-A1 Novel Reagents for Directed Biomarker Signal Amplification RNGTT, CAPG, CD2BP2 TSHR 2514/4885ABCB11 4824/4885CYP3A4 4860/4885
US-20110256550-A1 Novel reagents for directed biomarker signal amplification RNGTT, CAPG, CD2BP2 TSHR 2514/4885ABCB11 4824/4885CYP3A4 4860/4885

“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.