SCHEMBL4530990

SCHEMBL4530990

CC(=O)C(O)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GLS O94925 1/20 0.44
PARP1 P09874 1/20 0.41
CTSA P10619 1/20 0.40
SLC6A9 P48067 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL31736245 0.82 LMNA (0.59) ALDH1A1GLSPARP1CTSAIDO1
SCHEMBL31038341 0.82 LMNA (0.59) ALDH1A1GLSPARP1CTSAIDO1
SCHEMBL742998 0.82 LMNA (0.59) ALDH1A1GLSPARP1CTSAIDO1
SCHEMBL1786065 0.82 LMNA (0.59) ALDH1A1GLSPARP1CTSAIDO1
SCHEMBL742997 0.82 LMNA (0.59) ALDH1A1GLSPARP1CTSAIDO1
SCHEMBL12470300 0.82 ALDH1A1 (0.45) ALDH1A1GLSPARP1CTSANPC1
SCHEMBL11217020 0.81 GLS (0.44) ALDH1A1GLSPARP1CTSANPC1
SCHEMBL3519007 0.81 ALDH1A1 (0.47) ALDH1A1PARP1CTSANPC1CASP3
SCHEMBL13950148 0.80 GLS (0.41) ALDH1A1GLSPARP1CTSANPC1
SCHEMBL1525657 0.80 KMT2A (0.46) ALDH1A1GLSNPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B ALDH1A1 1363/4885GLS 2925/4885PARP1 3662/4885

“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.