SCHEMBL3614039

SCHEMBL3614039

[O]CC1=CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
MAOA P21397 3/20 0.37
CES1 P23141 2/20 0.37
MAOB P27338 2/20 0.34
BCHE P06276 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
PDPK1 O15530 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL31121639 0.82 HTR6 (0.56) HTR6MAOACES1MAOBBCHE
SCHEMBL7618202 0.82 HTR6 (0.67) HTR6MAOACES1MAOBKMT2A
SCHEMBL2338975 0.82 HTR6 (0.56) HTR6MAOACES1MAOBBCHE
SCHEMBL3874874 0.78 HTR6 (0.53) HTR6MAOACES1MAOBBCHE
SCHEMBL6919946 0.78 HTR6 (0.58) HTR6MAOACES1MAOBCYP2A6
SCHEMBL3868123 0.78 HTR6 (0.53) HTR6MAOACES1MAOBBCHE
SCHEMBL6552816 0.78 HTR6 (0.53) HTR6MAOACES1ACHEKMT2A
SCHEMBL3614042 0.78 HTR6 (0.53) HTR6MAOACES1MAOBBCHE
SCHEMBL21694403 0.78 HTR6 (0.53) HTR6MAOACES1MAOBBCHE
SCHEMBL14189739 0.78 HTR6 (0.53) HTR6MAOACES1MAOBBCHE

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 HTR6 2557/4885MAOA 2256/4885CES1 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.