SCHEMBL14947768

SCHEMBL14947768

CC(=O)[C@H](Cc1ccccc1C)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CTBP2 P56545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL287362 0.86 PPARG (0.48) PPARGPPARAALDH1A1HPGDCTBP2
SCHEMBL14950912 0.81 ALDH1A1 (0.45) PPARGPPARAMAOBALDH1A1LMNA
SCHEMBL19230445 0.79 CTNNB1 (0.51)
SCHEMBL19230443 0.79 CTNNB1 (0.51)
SCHEMBL6688791 0.78 PPARG (0.49) PPARGPPARAMAOBALDH1A1HPGD
SCHEMBL12341937 0.77 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9817764 0.77 PPARG (0.44) PPARGPPARAMAOBALDH1A1HPGD
SCHEMBL8605469 0.77 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL890230 0.77 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL31112170 0.77 PPARG (0.44) PPARGPPARAMAOBALDH1A1HPGD

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-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 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-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM PPARG 1000/4885PPARA 2437/4885MAOB 4464/4885

“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.