SCHEMBL11287405

SCHEMBL11287405

COc1ccc(SCCC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.49
HRH3 Q9Y5N1 1/20 0.45
APP P05067 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 2/20 0.44
CYP2A6 P11509 1/20 0.44
RYR2 Q92736 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
DAO P14920 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL418525 0.82 ALDH1A1 (0.59) MTNR1AMTNR1BALDH1A1KDM4EHRH3
SCHEMBL1951997 0.81 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KDM4EHRH3
SCHEMBL3404559 0.81 MTNR1A (0.60) MTNR1AMTNR1BALDH1A1KDM4EHRH3
SCHEMBL13940159 0.81 SMN1; SMN2 (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7514361 0.79 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL29103334 0.79 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1KDM4EHRH3
SCHEMBL9808184 0.78 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1KDM4EHRH3
SCHEMBL5167250 0.78 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1KDM4EHRH3
SCHEMBL14234390 0.77 EPHX2 (0.38) ALDH1A1KDM4ESMN1; SMN2LMNAMAOB
SCHEMBL14235161 0.77 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1KDM4EHRH3

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 7 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
WO-2012165648-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 WO disclosed
US-4355184-A BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC NIPPON SODA COMPANY LIMITED (JP) 1982-10-19 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 MTNR1A 2807/4885MTNR1B 2007/4885ALDH1A1 1329/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 MTNR1A 123/4885MTNR1B 291/4885ALDH1A1 215/4885

“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.