SCHEMBL781110

SCHEMBL781110

CCCCCCCCCCCC(CC)(CC)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.44
SMPD1 P17405 2/20 0.44
CES2 O00748 1/20 0.44
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
GGPS1 O95749 3/20 0.42

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
SCHEMBL1514297 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL18248568 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL28552027 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL780851 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL3334274 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL9484585 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL3967324 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL738375 1.00 FDPS (0.44) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL20746522 0.96 CES2 (0.48) FDPSSMPD1CES2SCN5ASCN9A
SCHEMBL31351851 0.96 CES2 (0.48) FDPSSMPD1CES2SCN5ASCN9A

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-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 FDPS 586/4885SMPD1 3961/4885CES2 239/4885

“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.