SCHEMBL15944259

SCHEMBL15944259

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 8/20 0.35
LMNA P02545 2/20 0.34
PAX8 Q06710 2/20 0.34
TP53 P04637 1/20 0.34
P4HB P07237 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.34
CRBN Q96SW2 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 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
SCHEMBL14234236 0.90 MMP1 (0.35) ALDH1A1
SCHEMBL10079454 0.85
SCHEMBL15944456 0.81 FYN (0.41)
SCHEMBL17193328 0.81 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL15944328 0.80 MAPT (0.36) ALDH1A1KMT2ATP53MAPK1HSD17B10
SCHEMBL15944260 0.80
SCHEMBL14234190 0.79 ALDH1A1 (0.34) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL15944305 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL15944323 0.78 MAP1LC3B (0.31)
SCHEMBL15944310 0.78 CRBN (0.31) ALDH1A1MAPTCRBNGAA

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 1329/4885CYP3A4 271/4885CYP2C9 162/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885CYP3A4 95/4885CYP2C9 97/4885

“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.