SCHEMBL3138807

SCHEMBL3138807

CC(=O)c1ccc(C(Br)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
GPR119 Q8TDV5 1/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HSD17B1 P14061 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL26262430 0.84 CA1 (0.44) MAPTRAB9AHPGDL3MBTL1KMT2A
SCHEMBL27395438 0.81 APP (0.41) MAPTLMNAKMT2AAPP
SCHEMBL20166011 0.81 LMNA (0.36) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL355454 0.81 CES2 (0.53) MAPTLMNANPSR1L3MBTL1KMT2A
SCHEMBL3140615 0.81 KMT2A (0.45) MAPTRAB9AHPGDLMNAPOLB
SCHEMBL8472341 0.80 NPSR1 (0.47) MAPTRAB9ALMNANPSR1ELANE
SCHEMBL17634288 0.79 GSK3B (0.45) MAPTAPP
SCHEMBL24276683 0.78 MAPT (0.36) MAPTRAB9AHPGDLMNANPSR1
SCHEMBL4438756 0.74 MAPT (0.52) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL11378154 0.73 ACHE (0.46) MAPTHPGDLMNANPSR1L3MBTL1

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
EP-2099776-B1 CHELATING AGENT UNIV MUENCHEN TECH (DE) 2015-10-07 EP disclosed
US-20100081799-A1 Chelating Agent TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2010-04-01 US disclosed
CN-101605768-A Sequestrant UNIV MUENCHEN TECH (DE) 2009-12-16 CN 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-20100081799-A1 Chelating Agent HRH3, C3AR1, H1-3 MAPT 4794/4885RAB9A 3042/4885HPGD 1425/4885

“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.