SCHEMBL780516

SCHEMBL780516

CCCCCCCCCCCCCCCC(=O)N(CCCCC)CCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
KDM5A P29375 3/20 0.51
PHF8 Q9UPP1 3/20 0.51
KDM4C Q9H3R0 2/20 0.51
GPR84 Q9NQS5 6/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL8070778 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL782334 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL9694578 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL25129667 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL25129665 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL25129664 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL25129653 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL25129396 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL22605312 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C
SCHEMBL782419 1.00 CES2 (0.52) CES2CES1KDM5APHF8KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653121-B2 Agrochemical composition and method for preparing and using the same ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2014-02-18 US claimed
US-20120071530-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2012-03-22 US claimed
EP-2164322-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME Rotam Agrochem International Co., Ltd (CN) 2010-03-24 EP claimed
WO-2008145063-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME JIANGSU ROTAM CHEMISTRY CO., LTD. (CN) 2008-12-04 WO claimed
US-8653121-B2 Agrochemical composition and method for preparing and using the same ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2014-02-18 US disclosed
US-20120071530-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2012-03-22 US disclosed
EP-2164322-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME Rotam Agrochem International Co., Ltd (CN) 2010-03-24 EP disclosed
WO-2008145063-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME JIANGSU ROTAM CHEMISTRY CO., LTD. (CN) 2008-12-04 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-20120071530-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME CYP2F1, CYP51A1, CYP4F3 CES2 239/4885CES1 240/4885KDM5A 2929/4885

“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.