SCHEMBL15945528

SCHEMBL15945528

COC(=O)C1C(O)=CC(=O)CC1CCSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.37
PPARD Q03181 3/20 0.33
CYP3A4 P08684 4/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
TACR1 P25103 1/20 0.31
OPRL1 P41146 1/20 0.31
ADAMTS4 O75173 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
MMP12 P39900 2/20 0.31
MMP13 P45452 2/20 0.31
MMP14 P50281 2/20 0.31
ADAMTS5 Q9UNA0 2/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL15944391 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1POLBL3MBTL1
SCHEMBL15944463 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2AATMKDM4E
SCHEMBL15945506 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1PPARDKDM4EL3MBTL1
SCHEMBL10338571 0.87 DDB1 (0.33) ALDH1A1MAPK1PPARD
SCHEMBL15944368 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1CYP3A4KMT2AKDM4E
SCHEMBL15944386 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1CYP3A4KMT2AKDM4E
SCHEMBL15945500 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1KMT2AKDM4EMAPT
SCHEMBL15944380 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1CYP3A4KMT2AKDM4E
SCHEMBL15945536 0.85 ALDH1A1 (0.45) ALDH1A1MAPK1POLBL3MBTL1
SCHEMBL15945771 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1KDM4EPOLBL3MBTL1

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 5 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
EP-2713755-B1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2016-02-24 EP 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 2782/4885PPARD 2770/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885MAPK1 3874/4885PPARD 455/4885

“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.