SCHEMBL15944394

SCHEMBL15944394

COC(=O)C1C(O)=CC(=O)CC1C(C)CSc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 4/20 0.35
USP2 O75604 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL15945766 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1KDM4E
SCHEMBL15944400 0.85 ALDH1A1 (0.43) ALDH1A1MAPK1HPGDKDM4E
SCHEMBL15944435 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1HPGDNPC1
SCHEMBL15944368 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1HPGDNPC1
SCHEMBL15944405 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1HPGDL3MBTL1
SCHEMBL15944451 0.76 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1HPGDUSP2
SCHEMBL15945503 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL15944428 0.73 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL15944393 0.72 RAB9A (0.36) KMT2AMAPK1HPGDUSP2NPC1
SCHEMBL15763644 0.68 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1RAB9AL3MBTL1

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 1329/4885KMT2A 466/4885MAPK1 2782/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885KMT2A 1181/4885MAPK1 3874/4885

“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.