SCHEMBL4030641

SCHEMBL4030641

CCOC(N)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.56
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
LTA4H P09960 2/20 0.50
MAOB P27338 2/20 0.50
EPHX2 P34913 1/20 0.50
MMP12 P39900 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL8855301 0.85 BCHE (0.65) BCHELTA4HMAOBEPHX2MMP12
SCHEMBL10565984 0.85 BCHE (0.65) BCHELTA4HMAOBEPHX2MMP12
SCHEMBL8855308 0.85 BCHE (0.65) BCHELTA4HMAOBEPHX2MMP12
Hydrochloric Acid SCHEMBL8855338 0.84 BCHE (0.63) BCHELTA4HMAOBEPHX2MMP12
Hydrochloric Acid SCHEMBL11483001 0.84 BCHE (0.63) BCHELTA4HMAOBEPHX2MMP12
SCHEMBL10085324 0.79 BCHE (0.68) BCHELTA4HMAOBEPHX2MMP12
SCHEMBL4029330 0.77 BCHE (0.49) BCHEPPARAPPARGPPARDLTA4H
SCHEMBL10784840 0.76 LTA4H (0.64) BCHELTA4HMAOBEPHX2FFAR1
SCHEMBL28686580 0.76 BCHE (0.61) BCHELTA4HMAOBEPHX2MMP12
SCHEMBL28041310 0.76 BCHE (0.65) BCHELTA4HMAOBEPHX2MMP12

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 BCHE 3313/4885PPARA 2339/4885PPARG 2043/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 BCHE 3313/4885PPARA 2339/4885PPARG 2043/4885

“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.