SCHEMBL5657715

SCHEMBL5657715

[c]1cccc(OCOCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAOB P27338 6/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSTP1 P09211 1/20 0.38
BCHE P06276 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
SCHEMBL95949 0.86 MAOB (0.50) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL14813932 0.85 TSHR (0.44) TSHRMAOBLMNACYP1A2PTGS1
SCHEMBL27795621 0.84 TDP1 (0.46) TSHRHDAC6L3MBTL1HTR1AADRA1D
SCHEMBL27795617 0.84 TSHR (0.42) TSHRL3MBTL1HTR1AADRA1DADRA1A
SCHEMBL3158759 0.84 TSHR (0.64) TSHRMAOBLMNACYP1A2PTGS1
SCHEMBL27816607 0.83 L3MBTL1 (0.48) TSHRHDAC6L3MBTL1HTR1AADRA1D
SCHEMBL7007175 0.80 MAOB (0.45) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL27810352 0.80 MAOB (0.51) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL8751709 0.80 TSHR (0.64) TSHRMAOBLMNACYP1A2PTGS1
SCHEMBL919605 0.79 MAOB (0.50) MAOBLMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109233-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20050234038-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
US-20040235883-A1 Alkyl-substituted imidazopyridines for the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2004-11-25 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-20050234038-A1 Protease inhibitors SPINT2, CTRL, PRSS1 TSHR 3822/4885MAOB 3137/4885LMNA 2415/4885
US-20040235883-A1 Alkyl-substituted imidazopyridines for the treatment of gastrointestinal disorders SLC10A2, ALPI, SI TSHR 1562/4885MAOB 321/4885LMNA 758/4885

“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.