SCHEMBL15944441

SCHEMBL15944441

CCc1cc(OCc2ccccc2)ccc1C1=C(O)CC(CCSc2ccc(C)cn2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.37
PPARG P37231 1/20 0.37
NMT2 O60551 1/20 0.37
MAOB P27338 7/20 0.36
MAOA P21397 3/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
GRM5 P41594 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL14235014 0.78 HSD17B3 (0.34) PPARGMAOBNPC1ALDH1A1RAB9A
SCHEMBL15944362 0.78 NPC1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL15944361 0.78 MAPK1 (0.32) MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17169171 0.77 NMT1 (0.37) NMT1NMT2MAOBS1PR1S1PR5
SCHEMBL14235163 0.75 HSD17B3 (0.42) ALDH1A1
SCHEMBL14234820 0.73 LMNA (0.40) PPARGALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL15944364 0.72 KDM4E (0.34) ALDH1A1
SCHEMBL17169147 0.72
SCHEMBL14234546 0.69 MAPT (0.33) MAPK1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL14235007 0.69 ALB (0.31)

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 NMT1 2251/4885PPARG 2204/4885NMT2 1525/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 NMT1 518/4885PPARG 191/4885NMT2 310/4885

“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.