SCHEMBL4506397

SCHEMBL4506397

CC(C)(O)c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
LMNA P02545 1/20 0.40
SYK P43405 1/20 0.39
ALOX5 P09917 1/20 0.39
KIF11 P52732 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSF Q9UBX1 1/20 0.37
APP P05067 1/20 0.36
CREBBP Q92793 1/20 0.35
OPRL1 P41146 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
F10 P00742 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL4502966 0.86 SYK (0.46) CTSKLMNASYKKIF11APP
SCHEMBL4505886 0.85 HSD11B1 (0.46) CTSKSYKHSD11B1
SCHEMBL5878564 0.83 LMNA (0.44) LMNAALOX5KIF11OPRL1MAPT
SCHEMBL4498009 0.82 APP (0.60) CTSKAPPCYP2C9
SCHEMBL4506577 0.82 CTSK (0.42) CTSKLMNASYKALOX5KIF11
SCHEMBL4498667 0.81 THRB (0.40) CTSKAPPCREBBPOPRL1THRB
SCHEMBL30662077 0.78 AKR1C1 (0.46) CTSKLMNASYKCTSLCTSB
SCHEMBL21938462 0.77 LMNA (0.49) LMNAKIF11OPRL1PRKAB2PRKAG1
SCHEMBL5342038 0.76 THRB (0.53) LMNASYKKIF11APPOPRL1
SCHEMBL2129826 0.75 BCL2L1 (0.46) LMNAPRKAB2PRKAG1PRKAA2PRKAA1

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 CTSK 1101/4885LMNA 1619/4885SYK 3202/4885

“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.