SCHEMBL4850342

SCHEMBL4850342

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1nnco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 5/20 0.39
CSF1R P07333 1/20 0.38
KMT2A Q03164 2/20 0.35
SNCA P37840 1/20 0.35
LPL P06858 3/20 0.34
LIPG Q9Y5X9 3/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4847997 0.80 CSF1R (0.43) ALDH1A1HPGDMAPK1MAPTCSF1R
SCHEMBL17148998 0.79 NOTUM (0.48) MAPK1NOTUMLPLLIPGTSHR
SCHEMBL3225396 0.75 NOTUM (0.54) ALDH1A1HPGDMAPK1MAPTNOTUM
SCHEMBL28644942 0.74 ALDH1A1 (0.62) ALDH1A1HPGDMAPK1MAPTGAA
SCHEMBL25203373 0.74 CSF1R (0.48) CSF1RSNCALPLLIPGCA1
SCHEMBL1877988 0.74 CSF1R (0.48) CSF1RSNCALPLLIPGCA1
SCHEMBL4850237 0.74 NOTUM (0.65) ALDH1A1HPGDMAPK1MAPTGAA
SCHEMBL15742918 0.74 IMPDH2 (0.56) ALDH1A1HPGDMAPK1MAPTGAA
SCHEMBL22408125 0.73 CSF1R (0.38) CSF1RSNCALPLLIPGCA1
SCHEMBL1129118 0.73 CSF1R (0.45) MAPTCSF1RSNCALPLLIPG

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885HPGD 1055/4885MAPK1 221/4885

“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.