SCHEMBL15944463

SCHEMBL15944463

COC(=O)C1C(O)=CC(=O)CC1CCSc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GUSB P08236 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGFR P43088 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
SCHEMBL15945528 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EATML3MBTL1POLB
SCHEMBL15944380 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EGAAL3MBTL1POLB
SCHEMBL15944391 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBLMNAMAPK1
SCHEMBL15944461 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1POLBMAPT
SCHEMBL15945506 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL15945771 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EGAAL3MBTL1POLB
SCHEMBL15945500 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL15944386 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1POLBMEN1
SCHEMBL15944418 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBMAPK1
SCHEMBL15945504 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EGAAATMPOLB

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 1329/4885KDM4E 214/4885GAA 2307/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885KDM4E 3089/4885GAA 1494/4885

“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.