SCHEMBL15944461

SCHEMBL15944461

COC(=O)C1C(O)=CC(=O)CC1CCSc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.36
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RBP4 P02753 1/20 0.31
TTR P02766 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL15944380 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL15945528 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1KDM4EMAPTPOLB
SCHEMBL15944463 0.80 ALDH1A1 (0.42) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL15944391 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1CRBNLMNAPOLB
SCHEMBL15945506 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1ALOX5KDM4EL3MBTL1
SCHEMBL15945771 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1DDB1CRBNKDM4E
SCHEMBL15944418 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1POLBL3MBTL1
SCHEMBL15944368 0.77 ALDH1A1 (0.49) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL15945500 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL15944386 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 US disclosed
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 US disclosed
EP-2713755-B1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2016-02-24 EP disclosed
US-20150289505-A1 HERBICIDE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289505-A1 HERBICIDE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-9101140-B2 Cyclohexanone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-11 US disclosed
US-9101140-B2 Cyclohexanone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-11 US disclosed
US-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-14 US disclosed
US-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-14 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 (2 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-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, CBR1, CYP2S1 ALDH1A1 1329/4885MAPK1 2782/4885DDB1 1389/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885MAPK1 3874/4885DDB1 1334/4885

“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.