SCHEMBL14788457

SCHEMBL14788457

C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NCC(=O)OCC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 8/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL14788325 0.87 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL14788388 0.86 GPX4 (0.49) C5AR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29864762 0.86 GPX4 (0.49) C5AR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12696372 0.78 ATM (0.45) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL14788496 0.77 GPX4 (0.49) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL14788390 0.76 GPX4 (0.54) C5AR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29172532 0.75 GPX4 (0.43) C5AR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12696355 0.74 C5AR1 (0.42) C5AR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12696373 0.73 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL11443834 0.67 CYP3A4 (0.64) ALDH1A1MEN1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 C5AR1 1864/4885ALDH1A1 1558/4885MAPT 1137/4885

“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.

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