SCHEMBL4031991

SCHEMBL4031991

OCCCOCCc1ccc(OCCN2CCOc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 1/20 0.39
TSHR P16473 5/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL4029854 0.80 ALDH1A1 (0.43) HRH3LTA4HTSHRKMT2AMAPT
SCHEMBL4032927 0.79 MAPT (0.51) HRH3LTA4HKMT2ALMNAMAPT
SCHEMBL4821713 0.77 HTR1A (0.47) MAOAMAOBHTR1ASLC6A4LTA4H
SCHEMBL4031998 0.77 PPARG (0.45) CYSLTR2CYSLTR1HTR1ASLC6A4HRH3
SCHEMBL24398651 0.76 HTR1A (0.47) MAOAMAOBHTR1ASLC6A4LTA4H
SCHEMBL5428241 0.75 HTR1A (0.42) MAOAMAOBHTR1ASLC6A4LTA4H
SCHEMBL5112766 0.75 PPARG (0.49) CYSLTR2CYSLTR1TSHRKMT2ALMNA
SCHEMBL5803100 0.75 HTR1A (0.45) MAOAMAOBHTR1ASLC6A4TSHR
SCHEMBL5107391 0.74 KMT2A (0.43) MAOAMAOBHTR1ASLC6A4LTA4H
SCHEMBL5104081 0.73 PPARG (0.55) PPARGPPARA

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 7 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

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 CYSLTR2 2367/4885CYSLTR1 2539/4885MAOA 568/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 CYSLTR2 2367/4885CYSLTR1 2539/4885MAOA 568/4885

“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.