SCHEMBL3614858

SCHEMBL3614858

[O]C(=O)C1=CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.36
HTR6 P50406 1/20 0.36
CES1 P23141 2/20 0.35
MAOA P21397 2/20 0.35
SRD5A2 P31213 2/20 0.34
SRD5A1 P18405 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
BCHE P06276 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL335207 0.85 SRD5A2 (0.43) HTR6CES1MAOASRD5A2SRD5A1
SCHEMBL11813906 0.85 HTR6 (0.37) RNASEH1HTR6CES1MAOASRD5A2
SCHEMBL31147237 0.85 SRD5A2 (0.43) HTR6CES1MAOASRD5A2SRD5A1
SCHEMBL4527060 0.82 NOTUM (0.40) HTR6CES1MAOASMN1; SMN2ALDH1A1
SCHEMBL4527055 0.82 HTR6 (0.35) RNASEH1HTR6CES1MAOASRD5A2
SCHEMBL23079026 0.82 HTR6 (0.35) RNASEH1HTR6CES1MAOASRD5A2
SCHEMBL30191469 0.82 NOTUM (0.39) HTR6CES1MAOAALDH1A1CYP1A2
SCHEMBL15573886 0.82 NOTUM (0.39) HTR6CES1MAOAALDH1A1CYP1A2
SCHEMBL7913732 0.79 HTT (0.38) HTR6CES1MAOASRD5A2SRD5A1
SCHEMBL6238924 0.77 SRD5A2 (0.34) HTR6CES1MAOASRD5A2SRD5A1

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 RNASEH1 3237/4885HTR6 2557/4885CES1 2143/4885

“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.