SCHEMBL5408683

SCHEMBL5408683

CCCCCCC(C)(N)C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.41
FDPS P14324 4/20 0.41
TSHR P16473 2/20 0.36
CES2 O00748 1/20 0.36
THRB P10828 1/20 0.36
DNM1 Q05193 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
GGPS1 O95749 1/20 0.34

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
SCHEMBL16079198 1.00 SMPD1 (0.41) SMPD1FDPSTSHRCES2THRB
SCHEMBL8183289 1.00 SMPD1 (0.41) SMPD1FDPSTSHRCES2THRB
SCHEMBL16079228 1.00 SMPD1 (0.41) SMPD1FDPSTSHRCES2THRB
SCHEMBL27611849 1.00 SMPD1 (0.41) SMPD1FDPSTSHRCES2THRB
SCHEMBL16084817 1.00 SMPD1 (0.41) SMPD1FDPSTSHRCES2THRB
SCHEMBL27325293 0.98 FDPS (0.39) SMPD1FDPSTSHRCES2THRB
SCHEMBL3834111 0.98 FDPS (0.39) SMPD1FDPSTSHRCES2THRB
SCHEMBL8628270 0.96 FDPS (0.38) SMPD1FDPSTSHRCES2THRB
SCHEMBL11700740 0.91
SCHEMBL6551648 0.80

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656832-B1 LIGAND-MODIFIED QUANTUM DOT COMPOSITION, LIGAND-MODIFIED QUANTUM DOT LAYER, PREPARATION METHOD THEREFOR, AND QUANTUM DOT LIGHT-EMITTING DIODE BOE TECHNOLOGY GROUP CO LTD (CN) 2023-06-21 EP disclosed
EP-3656832-A1 LIGAND-MODIFIED QUANTUM DOT COMPOSITION, LIGAND-MODIFIED QUANTUM DOT LAYER, PREPARATION METHOD THEREFOR, AND QUANTUM DOT LIGHT-EMITTING DIODE Boe Technology Group Co. Ltd. (CN) 2020-05-27 EP 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-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20150257384-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR BASF CORPORATION 2015-09-17 US 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
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-2014146145-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR BAYER CROPSCIENCE LP (US) 2014-09-18 WO 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
WO-2006002067-A1 COMPOSITION AND METHOD USING LOCAL APPLICATION OF LIPOPHILIC LATHYROGENS IN SUSTAINED RELEASE FORMULATIONS CHVAPIL MILOS (US) 2006-01-05 WO disclosed
US-20050276855-A1 Composition and method using local application of lipophilic lathyrogens sustained release formulations CHVAPIL MILOS 2005-12-15 US disclosed
WO-2005034882-A2 COMPOSITION AND METHOD TO TREAT SOLID TUMORS CHVAPIL MILOS (US) 2005-04-21 WO disclosed
US-20050080132-A1 Composition and method to treat solid tumors CHVAPIL MILOS (US) 2005-04-14 US disclosed
EP-0847383-B1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES DU PONT (US) 2001-11-07 EP disclosed
EP-0847383-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-17 EP disclosed
US-5760192-A FREE RADICAL, POLYMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-02 US disclosed
WO-1997008137-A1 MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed
US-4061590-A Catalyst composition of an azo nitrile mixture in an organic solvent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-06 US disclosed
US-3987025-A POLYMERIZATION INITIATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-10-19 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 (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 SMPD1 1253/4885FDPS 1333/4885TSHR 4493/4885
US-20160029628-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA,ARTICLE, AND/OR STRUCTURE ACHE, BCHE, SGMS1 SMPD1 117/4885FDPS 1874/4885TSHR 4121/4885
US-20050080132-A1 Composition and method to treat solid tumors CYP17A1, CYP19A1, LPXN SMPD1 2978/4885FDPS 2278/4885TSHR 568/4885
US-20140274682-A1 COMPOSITIONS AND METHODS FOR REDUCING DUST AND REPELLING, CONTROLLING, OR DIRECTING AN INSECT EXOSC9, VCL, DSTN SMPD1 575/4885FDPS 2879/4885TSHR 4481/4885
US-20150257384-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR ACHE, DDT, MGLL SMPD1 521/4885FDPS 1145/4885TSHR 2908/4885
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior ACHE, DDT, MGLL SMPD1 521/4885FDPS 1145/4885TSHR 2908/4885
US-20050276855-A1 Composition and method using local application of lipophilic lathyrogens sustained release formulations SHBG, PLOD3, LPXN SMPD1 4186/4885FDPS 3300/4885TSHR 1615/4885

“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.