SCHEMBL2232031

SCHEMBL2232031

COc1c[c][nH]c1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
IGF1R P08069 1/20 0.34
CREBBP Q92793 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
STING1 Q86WV6 1/20 0.31
GAA P10253 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
SCHEMBL5698348 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBHSD17B10LMNA
SCHEMBL27833658 0.67 MAPT (0.36) ALDH1A1KDM4EPOLBHSD17B10NFKB1
SCHEMBL1096751 0.65 MTNR1A (0.38) ALDH1A1KDM4ENFKB1NFKB2RELA
SCHEMBL934637 0.64 MAPT (0.58) ALDH1A1HSD17B10GAA
SCHEMBL7263716 0.64 PKM (0.58) ALDH1A1KDM4EPOLBLMNANFKB1
SCHEMBL2205239 0.64 MTNR1A (0.40) KDM4EMTNR1AMTNR1BSTING1
SCHEMBL11238694 0.63 TSHR (0.61) ALDH1A1KDM4EPOLBMTNR1AMTNR1B
SCHEMBL30591373 0.63 TSHR (0.42) ALDH1A1HSD17B10LMNAGABRA1GABRG2
SCHEMBL30822582 0.63 MAPT (0.56) ALDH1A1HSD17B10GAA
SCHEMBL5236558 0.63 MTNR1A (0.42) ALDH1A1KDM4ENFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US claimed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP claimed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 WO claimed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 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-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 ALDH1A1 13/4885KDM4E 1266/4885POLB 2594/4885

“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.