SCHEMBL4134477

SCHEMBL4134477

CCCCCCCOc1ccc(Br)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.57
HPGD P15428 2/20 0.52
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
SMPD1 P17405 3/20 0.44
PTPN11 Q06124 3/20 0.44
S1PR3 Q99500 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
ERN1 O75460 1/20 0.42

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
SCHEMBL4151896 1.00 PTGDR2 (0.57) PTGDR2HPGDCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL10482310 1.00 PTGDR2 (0.57) PTGDR2HPGDCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL13581076 1.00 PTGDR2 (0.57) PTGDR2HPGDCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL7082046 1.00 PTGDR2 (0.57) PTGDR2HPGDCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL12293415 0.94 PTGDR2 (0.60) PTGDR2HPGDCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL12953379 0.89 PTGDR2 (0.46) PTGDR2HPGDCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL5699880 0.89 HPGD (0.65) PTGDR2HPGDSMN1; SMN2TSHRERN1
SCHEMBL4645847 0.88 PTGDR2 (0.47) PTGDR2HPGDCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL155442 0.83 HPGD (0.64) PTGDR2HPGDSMN1; SMN2TSHRERN1
SCHEMBL31078471 0.83 LMNA (0.44) HPGDSMN1; SMN2TSHRSMPD1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 PTGDR2 660/4885HPGD 1596/4885CYSLTR2 520/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 PTGDR2 660/4885HPGD 1596/4885CYSLTR2 520/4885

“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.