SCHEMBL4878468

SCHEMBL4878468

[CH2]c1cc(C(C)(C)C)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL1312948 0.77 NOS3 (0.57) KIF11ALDH1A1GAANOS3NOS2
SCHEMBL347025 0.76 CCR1 (0.48) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29453375 0.76 CCR1 (0.48) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29373631 0.76 CCR1 (0.48) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL23459202 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL2783812 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL335953 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL278964 0.74 LMNA (0.41) KIF11ALDH1A1HPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL23538061 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL15663789 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10

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
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP KIF11 3880/4885ALDH1A1 2631/4885HPGD 2739/4885

“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.