SCHEMBL2205239

SCHEMBL2205239

CCc1c[c]c(C(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
TAAR1 Q96RJ0 2/20 0.35
CYP3A4 P08684 1/20 0.35
STING1 Q86WV6 1/20 0.33
HTR2A P28223 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 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
SCHEMBL27705109 0.70 KDM4E (0.46) MTNR1AMTNR1BCYP3A4PDE4APDE4B
SCHEMBL7684229 0.69 TAAR1 (0.44) TAAR1CYP3A4STING1HTR2APTGS2
SCHEMBL455446 0.69 TAAR1 (0.44) TAAR1CYP3A4HTR2APDE4APDE4B
SCHEMBL5885507 0.67 KDM4E (0.46) CYP3A4KDM4E
SCHEMBL28066598 0.67 TAAR1 (0.43) TAAR1CYP3A4HTR2APTGS2KDM4E
SCHEMBL5907891 0.67 MTNR1A (0.45) MTNR1AMTNR1BCYP3A4KDM4E
SCHEMBL10367375 0.66 MAPT (0.43) MTNR1AMTNR1BCYP3A4KDM4E
SCHEMBL1096751 0.66 MTNR1A (0.38) MTNR1AMTNR1BSTING1KDM4E
SCHEMBL3066721 0.65 CA12 (0.44)
SCHEMBL4518140 0.65 GABRA1 (0.43) MTNR1AMTNR1BCYP3A4KDM4E

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
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
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP disclosed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 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-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 MTNR1A 1180/4885MTNR1B 1054/4885TAAR1 2448/4885

“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.