SCHEMBL6589871

SCHEMBL6589871

CC(C)(C)OC(=O)Oc1cc2c(I)c(F)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA1 P14867 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NR1H2 P55055 11/20 0.33
TRPV3 Q8NET8 2/20 0.33
ELANE P08246 1/20 0.33
NR1H3 Q13133 4/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CA12 O43570 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
SCHEMBL6590160 0.91 GABRG2 (0.35) GABRG2GABRB3GABRA5CHRM2CHRM4
SCHEMBL6588897 0.74 GABRG2 (0.31) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL6591154 0.74 TRPV3 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL6590303 0.72 GABRG2 (0.31) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL14765171 0.71 NR1H2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL10064601 0.69 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL2310246 0.68 CHRM2 (0.34) GABRG2GABRB3GABRA5CHRM2CHRM4
SCHEMBL23723352 0.68 CDK1 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL2314326 0.68 NR1H2 (0.35) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL28632028 0.67 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358180-B1 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES HOFFMANN LA ROCHE (CH) 2004-12-01 EP claimed
US-6504034-B2 Cell antiproliferative agents; anticancer agents HOFFMANN-LA ROCHE INC. 2003-01-07 US claimed
US-20020147343-A1 Naphthostyrils CHEN YI (US) 2002-10-10 US claimed
EP-1358180-B1 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
US-6531598-B1 Naphthostyrils HOFFMANN-LA ROCHE INC. 2003-03-11 US disclosed
US-6504034-B2 Cell antiproliferative agents; anticancer agents HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020147343-A1 Naphthostyrils CHEN YI (US) 2002-10-10 US 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-20020147343-A1 Naphthostyrils CCNI, CDKL1, CDK2 GABRG2 4536/4885GABRB3 4677/4885GABRA5 4721/4885

“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.