SCHEMBL15944386

SCHEMBL15944386

COC(=O)C1C(O)=CC(=O)CC1CCSc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
TEAD1 P28347 1/20 0.37
YAP1 P46937 1/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD2 Q15562 1/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL15944368 0.90 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDCYP1A2CYP2C19
SCHEMBL15944391 0.89 ALDH1A1 (0.48) ALDH1A1HTTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL15945500 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHTTRAB9ASMN1; SMN2
SCHEMBL15944380 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EHTTHPGDCYP1A2
SCHEMBL15945528 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL15945536 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBMAPK1
SCHEMBL15945506 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL15944418 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBMAPK1
SCHEMBL15944463 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL15944453 0.77 ALDH1A1 (0.61) ALDH1A1CYP1A2NPSR1SMN1; SMN2MAPT

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 9 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-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-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-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
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 1329/4885KDM4E 214/4885HTT 3503/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885KDM4E 3089/4885HTT 750/4885

“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.