SCHEMBL15831780

SCHEMBL15831780

O=C1CC(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.54
MAOA P21397 7/20 0.54
KDM1A O60341 6/20 0.54
CYP2C19 P33261 5/20 0.54
CYP2B6 P20813 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
LMNA P02545 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2A6 P11509 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL3666782 1.00 MAOB (0.54) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL7563424 0.90 MAPT (0.68) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL12539799 0.84 GAA (0.45) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL17968615 0.84 GAA (0.45) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL1945380 0.84 GAA (0.45) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL5763634 0.81 MAPT (0.42) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL7659772 0.81 MAPT (0.42) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL7226907 0.81 MCL1 (0.50) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL7226904 0.81 MCL1 (0.50) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL5763639 0.81 MAPT (0.42) MAOBMAOAKDM1ACYP2C19CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776620-A A kind of metallocene complex and its preparation and application 上海东化环境工程有限公司 2019-05-21 CN disclosed
US-9051229-B2 Transition metal catalysts for C—O hydrogenolysis and hydrodeoxygenation GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2015-06-09 US disclosed
US-9051229-B2 Transition metal catalysts for C—O hydrogenolysis and hydrodeoxygenation GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2015-06-09 US disclosed
US-20140179954-A1 TRANSITION METAL CATALYSTS FOR C-O HYDROGENOLYSIS AND HYDRODEOXYGENATION GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-06-26 US disclosed
US-20140179954-A1 TRANSITION METAL CATALYSTS FOR C-O HYDROGENOLYSIS AND HYDRODEOXYGENATION GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-06-26 US 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-20140179954-A1 TRANSITION METAL CATALYSTS FOR C-O HYDROGENOLYSIS AND HYDRODEOXYGENATION HMOX1, HAO2, PPOX MAOB 359/4885MAOA 606/4885KDM1A 1798/4885

“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.