SCHEMBL4594726

SCHEMBL4594726

COc1c(Nc2ccccc2)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CDC25B P30305 3/20 0.55
TSHR P16473 2/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 1/20 0.53
GAA P10253 2/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACP1 P24666 1/20 0.43
POLB P06746 4/20 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
SCHEMBL4593661 0.87 RAB9A (0.51) ALDH1A1CDC25BTSHRHPGDALOX15
SCHEMBL4594439 0.85 EGFR (0.50) ALDH1A1CDC25BTSHRHPGDATM
SCHEMBL4594746 0.82 KDM4E (0.54) ALDH1A1CDC25BTSHRHPGDTP53
SCHEMBL5003682 0.77 AKR1C3 (0.45) ALDH1A1CDC25BHPGDRAB9AGAA
SCHEMBL6049198 0.77 ALDH1A1 (0.51) ALDH1A1CDC25BTSHRHPGDALOX15
SCHEMBL13183594 0.77 ALDH1A1 (0.60) ALDH1A1CDC25BTSHRHPGDALOX15
SCHEMBL30392844 0.76 ALDH1A1 (0.64) ALDH1A1CDC25BTSHRHPGDALOX15
SCHEMBL1617789 0.76 ALDH1A1 (0.64) ALDH1A1CDC25BTSHRHPGDALOX15
SCHEMBL17022824 0.74 ALDH1A1 (0.62) ALDH1A1CDC25BTSHRHPGDALOX15
SCHEMBL7125151 0.74 MAPT (0.50) ALDH1A1HPGDALOX15CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US claimed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP claimed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO claimed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 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-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation APP, BACE1, SNCA ALDH1A1 1775/4885CDC25B 2914/4885TSHR 4478/4885

“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.