SCHEMBL4594439

SCHEMBL4594439

COc1c(Nc2ccc(C(=O)O)cc2)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
KDR P35968 1/20 0.50
POLB P06746 1/20 0.49
CDC25B P30305 2/20 0.48
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
ATM Q13315 2/20 0.48
RAB9A P51151 1/20 0.47
HPGDS O60760 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
AURKA O14965 1/20 0.45
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 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
SCHEMBL4594746 0.89 KDM4E (0.54) EGFRKDRPOLBCDC25BRAB9A
SCHEMBL4594726 0.85 ALDH1A1 (0.55) POLBCDC25BATMRAB9AKDM4E
SCHEMBL5003682 0.84 AKR1C3 (0.45) POLBCDC25BAKR1C3AKR1C2RAB9A
SCHEMBL14542869 0.82 POLB (0.52) EGFRKDRPOLBCDC25BAKR1C3
SCHEMBL4593661 0.80 RAB9A (0.51) POLBCDC25BATMRAB9AKDM4E
SCHEMBL4594929 0.80 RCE1 (0.56) EGFRKDRPOLBCDC25BAKR1C3
SCHEMBL4593904 0.78 POLB (0.70) EGFRKDRPOLBCDC25BATM
SCHEMBL4593706 0.78 CDC25B (0.74) CDC25BAKR1C3AKR1C2AURKAMEN1
SCHEMBL4594901 0.74 KDM4E (0.58) EGFRKDRPOLBCDC25BRAB9A
SCHEMBL5442670 0.74 AURKA (0.67) AKR1C3AKR1C2RAB9AHPGDSAURKA

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 9 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
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 EGFR 4592/4885KDR 4792/4885POLB 1245/4885

“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.