SCHEMBL4898808

SCHEMBL4898808

COc1ccc(NC(C)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ACHE P22303 1/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
HPGD P15428 1/20 0.48
KDM1A O60341 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL15325816 0.88 ALDH1A1 (0.61) CA1CA2ACHEALDH1A1MAPT
SCHEMBL1966606 0.81 SMN1; SMN2 (0.49) CA1CA2ACHEALDH1A1MAPT
SCHEMBL178554 0.79 ACHE (0.60) CA1CA2ACHEALDH1A1MAPT
Hydrochloric Acid SCHEMBL5774500 0.79 ACHE (0.60) CA1CA2ACHEALDH1A1MAPT
SCHEMBL3131362 0.79 KDM4E (0.60) ALDH1A1MAPTLMNATP53KMT2A
SCHEMBL9781293 0.78 ACHE (0.58) CA1CA2ACHEALDH1A1MAPT
Hydrochloric Acid SCHEMBL3657271 0.78 ACHE (0.58) CA1CA2ACHEALDH1A1MAPT
SCHEMBL5954637 0.78 ACHE (0.58) CA1CA2ACHEALDH1A1MAPT
SCHEMBL12870325 0.78 ACHE (0.58) CA1CA2ACHEALDH1A1MAPT
SCHEMBL2438051 0.76 MAPT (0.53) CA1CA2ACHEALDH1A1MAPT

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-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 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-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, MTNR1B CA1 1057/4885CA2 930/4885ACHE 3011/4885

“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.