SCHEMBL15919074

SCHEMBL15919074

CCOC(=O)C(c1ccc(Br)cc1)C1COC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
HSD11B1 P28845 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
S1PR4 O95977 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL15919073 0.96 HSD11B1 (0.41) SLC6A2SLC6A3SLC6A4HSD11B1MEN1
SCHEMBL11932077 0.84 SLC6A3 (0.51) SLC6A2SLC6A3SLC6A4HSD11B1MEN1
SCHEMBL15912511 0.80 CYP1A2 (0.43) SLC6A2SLC6A3SLC6A4HSD11B1
SCHEMBL15919077 0.78 LIPG (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL15912509 0.77 CYP1A2 (0.40) SLC6A2SLC6A3SLC6A4HSD11B1
SCHEMBL15919078 0.76 LIPG (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL17892096 0.75 ALDH1A1 (0.48) MEN1KMT2AGAALMNAMAPK1
SCHEMBL20930834 0.74 KMT2A (0.50) MEN1KMT2AGAALMNAMAPK1
SCHEMBL11598177 0.73 LMNA (0.49) MEN1KMT2AGAALMNAMAPK1
SCHEMBL536847 0.73 MMP8 (0.56) MEN1KMT2AGAALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SLC6A2 3165/4885SLC6A3 3498/4885SLC6A4 3428/4885

“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.