SCHEMBL13233238

SCHEMBL13233238

NCCC(=O)Nc1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.65
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
TERT O14746 2/20 0.57
NLRP3 Q96P20 10/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.53

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
Hydrochloric Acid SCHEMBL15284015 0.90 HDAC4 (0.67) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL127182 0.87 CA1 (0.61) HDAC4ALDH1A1CYP1A2TERTNLRP3
SCHEMBL441932 0.87 HDAC4 (0.67) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL439465 0.87 HDAC4 (0.71) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL7093999 0.86 ALDH1A1 (0.58) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL5142374 0.85 ALDH1A1 (0.66) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL5699578 0.85 HDAC4 (0.68) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL4188909 0.84 NLRP3 (0.59) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL29720309 0.84 NLRP3 (0.59) HDAC4ALDH1A1CYP1A2NLRP3KMT2A
SCHEMBL2885788 0.84 NLRP3 (0.64) HDAC4ALDH1A1CYP1A2NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 HDAC4 377/4885ALDH1A1 3486/4885CYP1A2 3993/4885

“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.