SCHEMBL3553528

SCHEMBL3553528

C=C1COc2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
TSHR P16473 1/20 0.59
MAOB P27338 16/20 0.53
MIF P14174 2/20 0.47
MEN1 O00255 1/20 0.47
ACHE P22303 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
MAOA P21397 2/20 0.45
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL10196642 0.83 PKM (0.45) PKMTSHRMAOBMIFMEN1
SCHEMBL15395751 0.79 PKM (0.42) PKMTSHRMAOBMIFMEN1
SCHEMBL28709151 0.79 PKM (0.63) PKMTSHRMAOBMIFMEN1
SCHEMBL29375440 0.78 MAPT (0.67) PKMTSHRMAOBKMT2ATDP1
SCHEMBL86392 0.78 MAPT (0.67) PKMTSHRMAOBKMT2ATDP1
SCHEMBL3553595 0.74 MAOB (0.57) MAOBMEN1KMT2ATDP1MAPT
SCHEMBL3557966 0.74 APP (0.57) PKMTSHRTDP1MAPTTP53
SCHEMBL10977113 0.74 METAP1 (0.53) TSHRMAOBMEN1KMT2ATDP1
SCHEMBL6966321 0.74 PKM (1.00) PKMTSHRMAOBMIFMEN1
3-Coumaranone SCHEMBL69412 0.74 PKM (0.56) PKMTSHRMAOBMIFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60016983-A None JP disclosed
US-7642283-B2 modulating the activity of the mitochrondrial permeability transition pore complex comprising exposing the complex to a compound such as 6-bromo-3-methylene-chroman-4-one HOFFMANN-LA ROCHE INC. (US) 2010-01-05 US disclosed
US-7642283-B2 modulating the activity of the mitochrondrial permeability transition pore complex comprising exposing the complex to a compound such as 6-bromo-3-methylene-chroman-4-one HOFFMANN-LA ROCHE INC. (US) 2010-01-05 US disclosed
EP-1468995-B1 MPTP affinity labels HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
US-20060252822-A1 Mitochrondrial permeability transition pore affinity labels and modulators CESURA ANDREA 2006-11-09 US disclosed
US-7101917-B2 Mitochrondrial permeability transition pore affinity labels and modulators HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1468995-A1 MPTP affinity labels F. HOFFMANN-LA ROCHE AG (CH) 2004-10-20 EP disclosed
JP-S6016983-A 3-METHYLENE-4-CHROMANONE DERIVATIVE DAICEL CHEM IND LTD 1985-01-28 JP 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-20060252822-A1 Mitochrondrial permeability transition pore affinity labels and modulators MCU, ATP5PB, MFN2 PKM 776/4885TSHR 4156/4885MAOB 1048/4885

“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.