SCHEMBL4594512

SCHEMBL4594512

COc1ccc2ccccc2c1Nc1c(C)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
CDC25B P30305 3/20 0.49
IDO1 P14902 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
AKR1C2 P52895 2/20 0.44
CYP2C9 P11712 2/20 0.44
HIF1A Q16665 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1B10 O60218 1/20 0.44
TRPA1 O75762 1/20 0.44
ABCB11 O95342 1/20 0.44
DHFR P00374 1/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44

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
SCHEMBL4595403 0.79 MAPT (0.62) POLBMEN1KMT2AKDM4EHPGD
SCHEMBL7369757 0.77 MAPT (0.51) CYP2C9MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4594510 0.76 MAPT (0.54) POLBCDC25BMEN1KMT2APTGS2
SCHEMBL11799846 0.76 FTO (0.58) POLBCDC25BNR4A1NR4A2NR4A3
SCHEMBL8555568 0.73 PTGS2 (0.71) POLBCDC25BNR4A1NR4A2FABP3
SCHEMBL27684870 0.73 ALDH1A1 (0.59) POLBCDC25BIDO1NR4A1NR4A2
SCHEMBL13271379 0.73 FABP3 (0.68) CDC25BFABP3FABP4FABP5AKR1C2
SCHEMBL16737100 0.72 ANO1 (0.72) POLBAKR1C2MEN1KMT2ALMNA
SCHEMBL3364068 0.72 POLB (0.60) POLBFABP4AKR1C2CYP2C9HIF1A
SCHEMBL16737205 0.71 ANO1 (0.62) POLBAKR1C2MEN1KMT2ALMNA

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-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 POLB 1245/4885CDC25B 2914/4885IDO1 2712/4885

“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.