SCHEMBL14235014

SCHEMBL14235014

CCCCOc1ccc(C2=C(O)CC(CCSc3ccc(C(F)(F)F)cn3)CC2=O)c(CC)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
PPARG P37231 9/20 0.33
PPARA Q07869 6/20 0.33
PPARD Q03181 5/20 0.33
ALOX5 P09917 3/20 0.33
PTGES O14684 2/20 0.33
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PSEN1 P49768 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
SCHEMBL14235163 0.88 HSD17B3 (0.42) HSD17B3ALDH1A1PKML3MBTL1GAA
SCHEMBL14234820 0.86 LMNA (0.40) ALDH1A1PPARGMEN1MAPTRAB9A
SCHEMBL15944267 0.82 LMNA (0.38) ALDH1A1PPARGMAPTRAB9A
SCHEMBL14234370 0.81 ALDH1A1 (0.41) HSD17B3ALDH1A1PKML3MBTL1GAA
SCHEMBL15945492 0.79 LMNA (0.40) ALDH1A1PPARGMAPTRAB9A
SCHEMBL15945527 0.79 ALDH1A1 (0.41) HSD17B3ALDH1A1PKML3MBTL1MAPT
SCHEMBL14234563 0.78 ALDH1A1 (0.43) HSD17B3ALDH1A1PKML3MBTL1GAA
SCHEMBL15944441 0.78 NMT1 (0.37) ALDH1A1PPARGMAOBMEN1NPC1
SCHEMBL17172430 0.77 PPARA (0.36) HSD17B3ALDH1A1PKMPPARGPPARA
SCHEMBL15945526 0.77 ALDH1A1 (0.41) HSD17B3ALDH1A1PKML3MBTL1NPC1

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 6 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
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-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
WO-2012165648-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 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 (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 HSD17B3 537/4885ALDH1A1 1329/4885PKM 2407/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 HSD17B3 556/4885ALDH1A1 215/4885PKM 1010/4885

“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.