SCHEMBL14234792

SCHEMBL14234792

CCOCOC1=C(c2c(CC)cc(C)cc2CC)C(=O)CC(CCSc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
HSD17B3 P37058 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14234401 0.93 ALDH1A1 (0.38) ALDH1A1PKMHSD17B3L3MBTL1HPGD
SCHEMBL15944296 0.90
SCHEMBL14235155 0.88 PPARD (0.32)
SCHEMBL14235152 0.88 ALDH1A1 (0.38) ALDH1A1PKMHSD17B3L3MBTL1HPGD
SCHEMBL14234781 0.88 ALDH1A1 (0.42) ALDH1A1PKMHSD17B3L3MBTL1HPGD
SCHEMBL14235153 0.87 ALDH1A1 (0.37) ALDH1A1PKMHSD17B3L3MBTL1HPGD
SCHEMBL14234780 0.87 ALDH1A1 (0.39) ALDH1A1PKMHSD17B3L3MBTL1HPGD
SCHEMBL15945767 0.86 ALDH1A1 (0.37) ALDH1A1PKMHSD17B3L3MBTL1HPGD
SCHEMBL14234822 0.86 ALDH1A1 (0.39) ALDH1A1PKMHSD17B3L3MBTL1HPGD
SCHEMBL14234370 0.85 ALDH1A1 (0.41) ALDH1A1PKMHSD17B3L3MBTL1HPGD

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 ALDH1A1 1329/4885PKM 2407/4885HSD17B3 537/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885PKM 1010/4885HSD17B3 556/4885

“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.