SCHEMBL5713166

SCHEMBL5713166

FC(F)(F)Oc1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FBP1 P09467 2/20 0.34
PDK1 Q15118 1/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSA P10619 2/20 0.32
EGFR P00533 2/20 0.32
FGFR1 P11362 2/20 0.32
KDR P35968 2/20 0.32
KCNA5 P22460 1/20 0.31
PDPK1 O15530 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL15966001 0.77 ALDH1A1 (0.37) ALDH1A1TSHRNOS1HSD17B10FBP1
SCHEMBL10368032 0.73
SCHEMBL3577014 0.72 ALDH1A1 (0.46) CHRM5ALDH1A1TSHRNOS1HSD17B10
SCHEMBL30960873 0.70
SCHEMBL27742643 0.70 MEN1 (0.42) ALDH1A1HSD17B10MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL28316725 0.69 MEN1 (0.41) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL10394210 0.69
SCHEMBL1680456 0.69
SCHEMBL303744 0.69
SCHEMBL468075 0.67 PDPK1 (0.52) ALDH1A1MAPTPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193693-A NOVEL HERBICIDES SYNGENTA LTD 2014-12-10 CN claimed
EP-2997824-A1 NOVEL HERBICIDES Syngenta Participations AG. (CH) 2016-03-23 EP disclosed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 EP disclosed
CN-104193693-A NOVEL HERBICIDES SYNGENTA LTD 2014-12-10 CN disclosed
EP-2537828-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT Sumitomo Chemical Company, Limited (JP) 2012-12-26 EP disclosed
US-20120310003-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 US disclosed
CN-102300458-A New herbicides 2011-12-28 CN disclosed
EP-1227077-B1 Process for producing cyclopropanecarboxylates SUMITOMO CHEMICAL CO (JP) 2006-03-22 EP disclosed
US-6909013-B2 Process for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-21 US disclosed
US-6750370-B2 CHEMICAL INTERMEDIATE FOR SYNTHETIC PYRETHROIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-15 US disclosed
US-20030032839-A1 Process for racemizing optically active vinyl-substituted cyclopropanecarboxylic acid compound PANASONIC CORPORATION (JP) 2003-02-13 US disclosed
US-20020151741-A1 Process for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-17 US disclosed
EP-1227077-A2 Process for producing cyclopropanecarboxylates Sumitomo Chemical Co.,Ltd. (JP) 2002-07-31 EP 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 (3 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-20020151741-A1 Process for producing cyclopropanecarboxylates CYC1, CYP21A2, CYP2A6 CHRM5 3137/4885ALDH1A1 370/4885TSHR 4329/4885
US-20120310003-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT MCCC2, AOC2, DDC CHRM5 724/4885ALDH1A1 809/4885TSHR 1331/4885
US-20030032839-A1 Process for racemizing optically active vinyl-substituted cyclopropanecarboxylic acid compound NOS1, CYP1B1, CBR1 CHRM5 1562/4885ALDH1A1 258/4885TSHR 3624/4885

“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.