SCHEMBL4285855

SCHEMBL4285855

O=C(CC(=O)OCC(CBr)OC(=O)CC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LPAR1 Q92633 3/20 0.45
CDC25B P30305 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTRB1 P17538 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SLC15A1 P46059 1/20 0.39

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
SCHEMBL13702239 0.90 LPAR1 (0.47) ALDH1A1MAPK1L3MBTL1LPAR1TDP1
SCHEMBL13702212 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CDC25BSLC6A2
SCHEMBL4301352 0.85 LPAR1 (0.60) ALDH1A1MAPK1L3MBTL1LPAR1LMNA
SCHEMBL294341 0.79 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1CDC25BSLC6A2
SCHEMBL8069055 0.78 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1CDC25BSLC6A2
SCHEMBL13702210 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CDC25BSLC6A2
SCHEMBL13702213 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CDC25BSLC6A2
SCHEMBL24665788 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1CDC25BSLC6A2
SCHEMBL7430396 0.77 TSHR (0.62) ALDH1A1MAPK1L3MBTL1CDC25BSLC6A2
SCHEMBL4255720 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LPAR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2009-09-03 US disclosed
WO-2007073489-A2 MOLECULES FOR GENE DELIVERY AND GENE THERAPY, AND METHODS OF USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2007-06-28 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 (1 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-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof ANXA6, STING1, ADM2 ALDH1A1 2863/4885MAPK1 4787/4885L3MBTL1 362/4885

“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.