SCHEMBL13236554

SCHEMBL13236554

Cc1c(C(C)(C)C)c(=O)n(-c2ccccc2)n1CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
BCHE P06276 1/20 0.40
PTGS2 P35354 1/20 0.40
ABCB1 P08183 4/20 0.39
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 4/20 0.38
CYP1A2 P05177 2/20 0.38
THRB P10828 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL13236553 0.80 ABCB1 (0.48) ALDH1A1ALOX15ABCB1LMNAADORA3
SCHEMBL3528080 0.78 ALDH1A1 (0.60) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL3527212 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL200546 0.70 ABCB1 (0.49) ALDH1A1ALOX15ABCB1TSHR
SCHEMBL13467426 0.69 ALDH1A1 (0.60) ALDH1A1ALOX15BCHEPTGS2ABCB1
SCHEMBL2353865 0.68 ABCB1 (0.47) ABCB1KDM4E
SCHEMBL14087720 0.67 ALDH1A1 (0.54) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL14946541 0.65 ALDH1A1 (0.47) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL12775621 0.65 ALDH1A1 (0.55) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL4370043 0.64 BCHE (0.43) ALDH1A1ALOX15BCHEPTGS2LMNA

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-7759344-B2 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-20080234268-A1 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2008-09-25 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-20080234268-A1 Bis-aryl amide derivatives and methods of use MET, REL, NAT1 ALDH1A1 271/4885ALOX15 1670/4885BCHE 190/4885

“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.