SCHEMBL6818357

SCHEMBL6818357

CC(C)C(=O)Nc1ccc(CCOc2ccc(CC(C#N)CO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACACB O00763 2/20 0.42
PPARA Q07869 5/20 0.41
PSMB5 P28074 1/20 0.41
EPHX2 P34913 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
LTA4H P09960 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ATM Q13315 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL7251559 0.85 MEN1 (0.46) MEN1KMT2AACACBPPARAPSMB5
SCHEMBL6817241 0.82 PSMB5 (0.43) MEN1KMT2AACACBPPARAPSMB5
SCHEMBL6818286 0.80 PPARA (0.43) MEN1KMT2AACACBPPARAPPARG
SCHEMBL5992822 0.78 PPARA (0.65) PPARAPPARG
SCHEMBL5992744 0.78 PPARA (0.65) PPARAPPARG
SCHEMBL6818000 0.77 PPARA (0.60) ACACBPPARAPPARG
SCHEMBL5991668 0.75 PPARA (0.53) MEN1KMT2AACACBPPARAPSMB5
SCHEMBL5991661 0.75 PPARA (0.53) MEN1KMT2AACACBPPARAPSMB5
SCHEMBL18792471 0.72 APP (0.55) MEN1KMT2AEPHX2LTA4HS1PR1
SCHEMBL4121033 0.71 CA12 (0.51) MEN1KMT2ASPHK1

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
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6630509-B2 Pharmaceutical medication associated with insulin resistance; patient with prophylaxis conditions having reduced sensitivity to insulin ASTRAZENECA AB (SE) 2003-10-07 US disclosed
US-20030018207-A1 Phenalkyloxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-01-23 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-20030018207-A1 Phenalkyloxy-phenyl derivatives GPR119, INSR, IAPP MEN1 3936/4885KMT2A 4391/4885ACACB 90/4885

“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.