SCHEMBL4492464

SCHEMBL4492464

CC(=O)c1ccc(-c2ccc(C(C)(C)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
HSD17B1 P14061 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KIF11 P52732 1/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
XDH P47989 1/20 0.44
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL8363133 1.00 MAPT (0.57) MAPTHSD17B1SMN1; SMN2KIF11EPHX2
SCHEMBL548546 0.94 EPHX2 (0.49) MAPTHSD17B1SMN1; SMN2KIF11EPHX2
SCHEMBL17973598 0.85 MAPT (0.59) MAPTHSD17B1SMN1; SMN2KIF11EPHX2
SCHEMBL13211711 0.83 MAPT (0.61) MAPTHSD17B1SMN1; SMN2KIF11EPHX2
SCHEMBL4506536 0.82 HDAC2 (0.49) MAPTSMN1; SMN2KMT2ALMNARXRA
SCHEMBL547767 0.82 KIF11 (0.44) KIF11HPGDKMT2ALMNAMEN1
SCHEMBL18802754 0.82 KIF11 (0.44) KIF11HPGDKMT2ALMNAMEN1
SCHEMBL197130 0.82 MAPT (0.80) MAPTHSD17B1SMN1; SMN2KIF11XDH
SCHEMBL11441494 0.82 MAPT (0.80) MAPTHSD17B1SMN1; SMN2KIF11XDH
SCHEMBL4504947 0.82 CA1 (0.48) KIF11EPHX2NR1H4

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 2 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 claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH MAPT 1254/4885HSD17B1 312/4885SMN1; SMN2 849/4885

“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.