SCHEMBL15071872

SCHEMBL15071872

O=C1C=CC(=O)C(CC2=CC(=O)C=CC2=O)=C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.64
MAOB P27338 5/20 0.64
ACHE P22303 2/20 0.50
BACE1 P56817 1/20 0.50
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 2/20 0.39
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
MDM2 Q00987 1/20 0.39
DHODH Q02127 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
SCHEMBL7915011 0.82 ACHE (0.61) MAOAMAOBACHEBACE1TDP1
SCHEMBL1872240 0.79 MAOA (1.00) MAOAMAOBACHEBACE1HSD17B3
SCHEMBL27522872 0.78 MAOA (0.48) MAOAMAOBACHEBACE1TDP1
SCHEMBL20087552 0.78 ACHE (0.69) MAOAMAOBACHEBACE1TDP1
SCHEMBL5462239 0.78 MAOA (0.48) MAOAMAOBACHEBACE1TDP1
SCHEMBL973343 0.78 ACHE (0.57) MAOAMAOBACHEBACE1TDP1
SCHEMBL2027891 0.78 MAOA (0.48) MAOAMAOBACHEBACE1TDP1
SCHEMBL7050440 0.78 MAOA (0.48) MAOAMAOBACHEBACE1TDP1
SCHEMBL5145016 0.78 MAOA (0.48) MAOAMAOBACHEBACE1TDP1
SCHEMBL7145913 0.78 MAOA (0.48) MAOAMAOBACHEBACE1TDP1

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-20180113337-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2018-04-26 US disclosed
US-9770515-B2 Crosslinking of proteins and other entities via conjugates of α-haloacetophenones, benzyl halides, quinones, and their derivatives ADVANCED PROTEOME THERAPEUTICS INC. (US) 2017-09-26 US disclosed
US-20130165382-A1 CROSSLINKING OF PROTEINS AND OTHER ENTITIES VIA CONJUGATES OF ALPHA-HALOACETOPHENONES, BENZYL HALIDES, QUINONES, AND THEIR DERIVATIVES ADVANCED PROTEOME THERAPEUTICS INC. (US) 2013-06-27 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 (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-20130165382-A1 CROSSLINKING OF PROTEINS AND OTHER ENTITIES VIA CONJUGATES OF ALPHA-HALOACETOPHENONES, BENZYL HALIDES, QUINONES, AND THEIR DERIVATIVES TBCA, HSP90AB2P, HSP90B1 MAOA 1374/4885MAOB 1760/4885ACHE 1744/4885

“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.