SCHEMBL15944305

SCHEMBL15944305

CCc1cc(C)cc(CC)c1C1=C(O)CC(C(C)CS(=O)(=O)c2ccc(C)cc2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 2/20 0.34
TP53 P04637 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
PAX8 Q06710 2/20 0.31
MITF O75030 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
P4HB P07237 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RECQL P46063 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL14234206 0.91 HSD11B1 (0.34) ALDH1A1MMP2MMP9
SCHEMBL15944321 0.89 ALDH1A1 (0.39) ALDH1A1MAPTCYP2C19TP53KMT2A
SCHEMBL15944306 0.85 APLNR (0.31)
SCHEMBL17528930 0.82 ALOX15 (0.30)
SCHEMBL14234366 0.81 HSD11B1 (0.35) ALDH1A1MAPT
SCHEMBL15944303 0.80
SCHEMBL15944250 0.80 KMT2A (0.32) KMT2AMEN1RAB9ANPC1
SCHEMBL15944312 0.80
SCHEMBL14234201 0.80 POLB (0.41) ALDH1A1SMN1; SMN2
SCHEMBL15944314 0.79 ALDH1A1 (0.40) ALDH1A1MAPTCYP2C19KMT2AMEN1

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 1329/4885MAPT 4773/4885CYP2C19 604/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885MAPT 1013/4885CYP2C19 47/4885

“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.