SCHEMBL4598788

SCHEMBL4598788

COC(=O)C(C#N)=CC1C(C(=O)Cc2coc(Cc3ccccc3)c2)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
IDH1 O75874 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
LMNA P02545 2/20 0.34
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL14142746 0.88 TDP1 (0.46) APPSNCAIDH1TDP1LMNA
SCHEMBL3542220 0.88 TDP1 (0.46) APPSNCAIDH1TDP1LMNA
SCHEMBL3542217 0.88 TDP1 (0.46) APPSNCAIDH1TDP1LMNA
SCHEMBL3548701 0.86 APP (0.36) APPSNCAIDH1LMNAMEN1
SCHEMBL3548705 0.86 APP (0.36) APPSNCAIDH1LMNAMEN1
SCHEMBL3540811 0.80 TDP1 (0.45) TDP1LMNAADRA2ACNR1ATM
SCHEMBL3540812 0.80 TDP1 (0.45) TDP1LMNAADRA2ACNR1ATM
SCHEMBL3544459 0.80 TDP1 (0.45) TDP1LMNAADRA2ACNR1ATM
SCHEMBL3544461 0.80 TDP1 (0.45) TDP1LMNAADRA2ACNR1ATM
SCHEMBL3544458 0.80 TDP1 (0.45) TDP1LMNAADRA2ACNR1ATM

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-20080161390-A1 Ester Compound and Its Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-03 US disclosed
EP-1742930-B1 PYRETHROID PESTICIDE SUMITOMO CHEMICAL CO (JP) 2008-07-02 EP 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-20080161390-A1 Ester Compound and Its Use CASP3, CYP51A1, DDT APP 1193/4885SNCA 1466/4885IDH1 3060/4885

“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.