SCHEMBL4030630

SCHEMBL4030630

NCCCOCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
LTA4H P09960 2/20 0.56
EPHX2 P34913 1/20 0.56
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 3/20 0.51
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL4884524 0.86 LTA4H (0.58) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL3172626 0.85 LTA4H (0.70) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL6505543 0.85 MAOB (0.65) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL3246183 0.85 MAOA (0.59) MAOASMN1; SMN2
SCHEMBL7281616 0.84 LTA4H (0.68) MAOBLTA4HEPHX2GAAMAPT
Hydrochloric Acid SCHEMBL8428235 0.84 MAOB (0.68) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL6895507 0.84 LTA4H (0.55) LTA4HEPHX2L3MBTL1BCHEFFAR1
SCHEMBL5989617 0.83 MAOB (0.58) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL11129953 0.83 TDP1 (0.68) LTA4HEPHX2L3MBTL1BCHEFFAR1
SCHEMBL10795544 0.82 FOXM1 (0.57) MAOBLTA4HEPHX2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US claimed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO 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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 MAOB 662/4885LTA4H 575/4885EPHX2 2045/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 MAOB 662/4885LTA4H 575/4885EPHX2 2045/4885

“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.