SCHEMBL3548705

SCHEMBL3548705

COC(=O)C(C#N)=CC1[C@@H](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
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
SLC16A1 P53985 2/20 0.31
SLC16A3 O15427 1/20 0.31

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
SCHEMBL3548701 1.00 APP (0.36) APPSNCAIDH1MEN1MAPT
SCHEMBL4598788 0.86 APP (0.36) APPSNCAIDH1MEN1MAPT
SCHEMBL14142746 0.84 TDP1 (0.46) APPSNCAIDH1MEN1KMT2A
SCHEMBL3542220 0.84 TDP1 (0.46) APPSNCAIDH1MEN1KMT2A
SCHEMBL3542217 0.84 TDP1 (0.46) APPSNCAIDH1MEN1KMT2A
SCHEMBL4598786 0.80 APP (0.35) APPSNCAIDH1MEN1MAPT
SCHEMBL11048431 0.79 IDH1 (0.40) IDH1CYP1A2TSHRCYP2C19MAPK1
SCHEMBL3540811 0.76 TDP1 (0.45) MEN1MAPTKMT2APOLBKDM4E
SCHEMBL3540812 0.76 TDP1 (0.45) MEN1MAPTKMT2APOLBKDM4E
SCHEMBL3544461 0.76 TDP1 (0.45) MEN1MAPTKMT2APOLBKDM4E

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-7700648-B2 Ester compound and its use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-20 US disclosed
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.