SCHEMBL3168231

SCHEMBL3168231

CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
MAPT P10636 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
LMNA P02545 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3168219 1.00 GRM5 (0.44) GRM5MAPTPLA2G1BATG4BHSP90AA1
SCHEMBL3178609 0.90 CPT1A (0.44) MAPTPLA2G1BATG4BHSP90AA1HSP90AB1
SCHEMBL3178620 0.90 CPT1A (0.44) MAPTPLA2G1BATG4BHSP90AA1HSP90AB1
SCHEMBL3164586 0.89 MAPT (0.41) GRM5MAPTHSP90AA1HSP90AB1MEN1
SCHEMBL3164576 0.89 MAPT (0.41) GRM5MAPTHSP90AA1HSP90AB1MEN1
SCHEMBL6138629 0.86 HDAC3 (0.44) MEN1KMT2AAKR1C3AKR1C2KDM4E
SCHEMBL6138626 0.86 HDAC3 (0.44) MEN1KMT2AAKR1C3AKR1C2KDM4E
SCHEMBL16802013 0.84 HSP90AA1 (0.43) HSP90AA1HSP90AB1LMNAMEN1KMT2A
SCHEMBL8127731 0.82 CYP1A2 (0.50) GRM5MAPTPLA2G1BATG4BTBXA2R
SCHEMBL16816111 0.81 CA1 (0.45) MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 US disclosed
EP-1558594-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES Novartis AG (CH) 2005-08-03 EP disclosed
WO-2004037796-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES NOVARTIS AG (CH) 2004-05-06 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-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 GRM5 1242/4885MAPT 2279/4885PLA2G1B 2780/4885

“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.