SCHEMBL10616005

SCHEMBL10616005

CCCCCCC(C)(O)C#N

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.42
GGPS1 O95749 7/20 0.42
SMPD1 P17405 2/20 0.38
CES2 O00748 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL8637268 1.00 FDPS (0.42) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL16079201 1.00 FDPS (0.42) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL3991715 0.98 FDPS (0.40) FDPSGGPS1SMPD1CES2
SCHEMBL3991712 0.98 FDPS (0.40) FDPSGGPS1SMPD1CES2
SCHEMBL5697306 0.91
SCHEMBL6052827 0.91
SCHEMBL20886584 0.82 CYP4F2 (0.37)
SCHEMBL20967951 0.81 TSHR (0.40) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL9912385 0.81 TSHR (0.40) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL736677 0.81 FDPS (0.45) FDPSGGPS1SMPD1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63202398-A None JP disclosed
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior BASF CORPORATION 2019-04-11 US disclosed
US-20160029628-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA,ARTICLE, AND/OR STRUCTURE BAYER CROPSCIENCE LP (US) 2016-02-04 US disclosed
US-20150257384-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR BASF CORPORATION 2015-09-17 US disclosed
US-20140271534-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA, ARTICLE, AND/OR STRUCTURE BAYER CROPSCIENCE LP (US) 2014-09-18 US disclosed
US-20140274684-A1 Compounds, Compositions, and Methods for Altering Behavior of Insects Or Other Organisms BAYER CROPSCIENCE LP (US) 2014-09-18 US disclosed
US-20140274682-A1 COMPOSITIONS AND METHODS FOR REDUCING DUST AND REPELLING, CONTROLLING, OR DIRECTING AN INSECT BAYER CROPSCIENCE LP (US) 2014-09-18 US disclosed
WO-2014146143-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA, ARTICLE, AND/OR STRUCTURE BAYER CROPSCIENCE LP (US) 2014-09-18 WO disclosed
US-20140274683-A1 COMPOSITIONS AND METHODS FOR REPELLING POLLINATING INSECTS AND PROTECTING PLANTS AND CROPS AGAINST INSECTS AND/OR NEMATODES BAYER CROPSCIENCE LP (US) 2014-09-18 US disclosed
JP-S63202398-A PRODUCTION OF OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE NISSAN CHEM IND LTD 1988-08-22 JP 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 (7 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-20140274683-A1 COMPOSITIONS AND METHODS FOR REPELLING POLLINATING INSECTS AND PROTECTING PLANTS AND CROPS AGAINST INSECTS AND/OR NEMATODES ACHE, BCHE, MSL1 FDPS 1333/4885GGPS1 407/4885SMPD1 1253/4885
US-20140274684-A1 Compounds, Compositions, and Methods for Altering Behavior of Insects Or Other Organisms ACHE, DDT, MGLL FDPS 1048/4885GGPS1 1775/4885SMPD1 487/4885
US-20160029628-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA,ARTICLE, AND/OR STRUCTURE ACHE, BCHE, SGMS1 FDPS 1874/4885GGPS1 2593/4885SMPD1 117/4885
US-20140274682-A1 COMPOSITIONS AND METHODS FOR REDUCING DUST AND REPELLING, CONTROLLING, OR DIRECTING AN INSECT EXOSC9, VCL, DSTN FDPS 2879/4885GGPS1 720/4885SMPD1 575/4885
US-20150257384-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR ACHE, DDT, MGLL FDPS 1145/4885GGPS1 1941/4885SMPD1 521/4885
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior ACHE, DDT, MGLL FDPS 1145/4885GGPS1 1941/4885SMPD1 521/4885
US-20140271534-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA, ARTICLE, AND/OR STRUCTURE ACHE, BCHE, SGMS1 FDPS 1874/4885GGPS1 2593/4885SMPD1 117/4885

“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.