SCHEMBL4032927

SCHEMBL4032927

OCCCOCCc1ccc(OCCN2CCSc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 3/20 0.39
THRB P10828 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KCNH2 Q12809 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL4025721 0.90 MAPT (0.48) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL4029408 0.81 TP53 (0.52) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL4029854 0.80 ALDH1A1 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4031991 0.79 CYSLTR2 (0.42) MAPTLMNAKMT2AHRH3LTA4H
SCHEMBL4032932 0.77 MAPT (0.51) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL5101155 0.75 MAPT (0.53) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL5807544 0.75 MAPT (0.47) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL4028050 0.75 MAPT (0.48) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL5107727 0.74 MAPT (0.49) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL5434965 0.73 MAPT (0.52) MAPTLMNATP53ALDH1A1KDM4E

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 MAPT 87/4885LMNA 751/4885TP53 3524/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 MAPT 87/4885LMNA 751/4885TP53 3524/4885

“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.