SCHEMBL1490621

SCHEMBL1490621

CCOP(=O)(OCC)OCC(C)Br

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
CYP3A4 P08684 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARD Q03181 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL5704321 0.91 CYP3A4 (0.45) TSHRCYP3A4L3MBTL1
SCHEMBL1296634 0.81 TSHR (0.65) TSHRCYP3A4L3MBTL1TP53TDP1
SCHEMBL3823280 0.81 TSHR (0.65) TSHRCYP3A4L3MBTL1TP53TDP1
Tris(2,3-Dibromopropyl)Phosphate SCHEMBL5908710 0.78 TSHR (0.54) TSHRCYP3A4L3MBTL1TP53TDP1
SCHEMBL22578282 0.77 TSHR (0.59) TSHRCYP3A4L3MBTL1TP53TDP1
Triethyl Phosphate SCHEMBL28023664 0.77 TSHR (1.00) TSHRCYP3A4TP53TDP1PPARD
Triethyl Phosphate SCHEMBL21887 0.77 TSHR (1.00) TSHRCYP3A4TP53TDP1PPARD
Triethyl Phosphate SCHEMBL1332591 0.77 TSHR (1.00) TSHRCYP3A4TP53TDP1PPARD
Triethyl Phosphate SCHEMBL27822049 0.77 TSHR (1.00) TSHRCYP3A4TP53TDP1PPARD
SCHEMBL19857469 0.74 TSHR (0.62) TSHRCYP3A4L3MBTL1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
EP-2289563-A1 Near infrared fluorescent imaging agent Fujifilm Corporation (JP) 2011-03-02 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 (1 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-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT MSR1, IK, RXFP1 TSHR 394/4885CYP3A4 3723/4885L3MBTL1 1048/4885

“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.