SCHEMBL4517154

SCHEMBL4517154

CC(C)(O)c1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 1/20 0.46
KIF11 P52732 1/20 0.45
SYK P43405 1/20 0.45
KMO O15229 1/20 0.44
ALOX5 P09917 1/20 0.43
PTPN1 P18031 2/20 0.43
ASIC1 P78348 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42

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
SCHEMBL4506291 0.91 CYP2C9 (0.56) CYP2C9ESR1KMT2AKIF11TNKS
SCHEMBL429422 0.91 CYP2C9 (0.56) CYP2C9ESR1KMT2AKIF11TNKS
SCHEMBL547993 0.88 RXRA (0.51) CYP2C9RXRARXRBMEN1ESR1
SCHEMBL548430 0.85 RXRA (0.53) CYP2C9RXRARXRBKIF11SYK
SCHEMBL22793707 0.83 DHODH (0.57) RXRARXRBMEN1ESR1KMT2A
SCHEMBL10802069 0.82 PGR (0.61) SYKALOX5TNKSPARP1TNKS2
SCHEMBL18802754 0.82 KIF11 (0.44) CYP2C9MEN1ESR1KMT2AKIF11
SCHEMBL547767 0.82 KIF11 (0.44) CYP2C9MEN1ESR1KMT2AKIF11
SCHEMBL4509959 0.81 CYP2C9 (0.45) CYP2C9ESR1KIF11TNKSPARP1
SCHEMBL4490328 0.80 ESR1 (0.57) ESR1ALOX5PTPN1ACMSDTNKS

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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH CYP2C9 109/4885RXRA 1675/4885RXRB 1116/4885

“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.