SCHEMBL15944405

SCHEMBL15944405

COC(=O)C1C(O)=CC(=O)CC1CC(C)Sc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX12 P18054 1/20 0.35
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32

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
SCHEMBL13176291 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1NPSR1ALOX12POLB
SCHEMBL15944368 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL15944394 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL15944435 0.76 ALDH1A1 (0.49) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL15944406 0.72 HPGD (0.35) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL15944451 0.72 ALDH1A1 (0.47) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL15944453 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2ANPSR1
SCHEMBL15944391 0.71 ALDH1A1 (0.48) ALDH1A1MAPK1LMNAPOLBSMN1; SMN2
SCHEMBL15944386 0.71 ALDH1A1 (0.48) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL15944380 0.70 ALDH1A1 (0.50) ALDH1A1MAPK1HPGDMEN1KMT2A

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 4 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-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

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 2782/4885HPGD 1366/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885MAPK1 3874/4885HPGD 585/4885

“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.