SCHEMBL3605152

SCHEMBL3605152

[O]C(=O)C1=Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALOX5 P09917 1/20 0.37
CYP11B2 P19099 2/20 0.36
PTGS2 P35354 2/20 0.36
CYP11B1 P15538 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.34
TRPA1 O75762 2/20 0.34
PREP P48147 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL29906826 0.83 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL1067727 0.83 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL4503152 0.82 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL18084822 0.82 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL11556904 0.82 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL2860722 0.82 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL29541321 0.82 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL15195147 0.81 MAOA (0.45) MAOAMAOBMTNR1AMTNR1BALOX5
Biphenyl SCHEMBL27655126 0.79 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL17997081 0.79 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BMEN1

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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 MAOA 2256/4885MAOB 1314/4885MTNR1A 1500/4885

“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.