SCHEMBL3553595

SCHEMBL3553595

C=C1COc2ccc(Cl)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
METAP1 P53582 1/20 0.49
NOTUM Q6P988 1/20 0.43
CYP19A1 P11511 1/20 0.43
S100A4 P26447 2/20 0.42
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK14 Q16539 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
APP P05067 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL18533284 0.85 MAOB (0.47) MAOBMETAP1NOTUMCYP19A1S100A4
SCHEMBL10977113 0.79 METAP1 (0.53) MAOBMETAP1CYP19A1MAPTRAB9A
SCHEMBL3557966 0.79 APP (0.57) METAP1CYP19A1S100A4MAPTRAB9A
SCHEMBL22049536 0.79 MAOB (0.57) MAOBNOTUMCYP19A1S100A4MAPT
SCHEMBL6966149 0.78 MAOB (0.55) MAOBNOTUMCYP19A1S100A4MAPT
SCHEMBL69423 0.78 MAOB (0.55) MAOBNOTUMCYP19A1S100A4MAPT
SCHEMBL8797952 0.77 MAPT (0.68) MAOBMAPTRAB9AALDH1A1MAPK14
SCHEMBL28827715 0.76 ALDH1A1 (0.65) MAOBMETAP1CYP19A1MAPTRAB9A
SCHEMBL29817556 0.76 ALDH1A1 (0.65) MAOBMETAP1CYP19A1MAPTRAB9A
SCHEMBL3553528 0.74 PKM (0.59) MAOBMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040220257-A1 Mitochrondrial permeability transition pore affinity labels and modulators HOFFMANN-LA ROCHE INC. 2004-11-04 US disclosed
EP-1468995-A1 MPTP affinity labels F. HOFFMANN-LA ROCHE AG (CH) 2004-10-20 EP 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 (2 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-20040220257-A1 Mitochrondrial permeability transition pore affinity labels and modulators MCU, ATP5PB, MFN2 MAOB 1048/4885METAP1 1423/4885NOTUM 3479/4885
US-20060252822-A1 Mitochrondrial permeability transition pore affinity labels and modulators MCU, ATP5PB, MFN2 MAOB 1048/4885METAP1 1423/4885NOTUM 3479/4885

“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.