SCHEMBL16465461

SCHEMBL16465461

CC(=O)CCSc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5507623 0.82 ALDH1A1 (0.53) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL907414 0.82 HPGD (0.60) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7471764 0.81 HPGD (0.55) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL15756645 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGD
SCHEMBL6912718 0.80 ALDH1A1 (0.60) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL3430422 0.80 PKM (0.56) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL25229031 0.78 ALDH1A1 (0.48) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL11618114 0.78 RAB9A (0.57) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL7355817 0.78 MTNR1A (0.64) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL25270599 0.78 MAPT (0.55) NPC1RAB9AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868714-B2 Pyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY (JP) 2018-01-16 US disclosed
US-9868714-B2 Pyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY (JP) 2018-01-16 US disclosed
US-9868714-B2 Pyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY (JP) 2018-01-16 US disclosed
EP-2906557-B1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2016-11-30 EP disclosed
EP-2906557-B1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2016-11-30 EP disclosed
US-20150274691-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-10-01 US disclosed
US-20150274691-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-10-01 US disclosed
US-20150274691-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-10-01 US disclosed
EP-2906557-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME Sumitomo Chemical Company, Limited (JP) 2015-08-19 EP disclosed
WO-2014058037-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-04-17 WO disclosed
WO-2014058037-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-04-17 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-20150274691-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, NOTUM, DDT NPC1 4828/4885RAB9A 3728/4885ALDH1A1 1109/4885

“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.