SCHEMBL3611129

SCHEMBL3611129

[O]CC1=Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PREP P48147 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
PTGS2 P35354 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
CYP1A2 P05177 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL1451967 0.82 ACHE (0.51) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL577446 0.82 HTR1A (0.57) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL8854199 0.80 ACHE (0.50) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL11767791 0.79 HTR1A (0.51) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL20359652 0.79 HTR1A (0.51) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL24696437 0.78 ACHE (0.49) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL3611132 0.78 ACHE (0.49) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL9153497 0.78 ACHE (0.49) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL21694390 0.78 ACHE (0.49) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL21694416 0.78 ACHE (0.49) ACHEHTR1AHTR2AHTR7DRD3

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 ACHE 207/4885HTR1A 4182/4885HTR2A 4074/4885

“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.