SCHEMBL15944406

SCHEMBL15944406

Cc1ccc(SC(C)CC2CC(=O)C=C(O)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 5/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.32
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
APOBEC3A P31941 1/20 0.31
RECQL P46063 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
SCHEMBL14234828 0.85 DDB1 (0.32) PTGESALOX5PPARGPPARAMAPT
SCHEMBL14234215 0.76 HPGD (0.39) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL15944405 0.72 ALDH1A1 (0.48) HPGDALDH1A1KMT2AMEN1LMNA
SCHEMBL15944258 0.72 HPGD (0.30) HPGDALDH1A1MAPTPOLBHTT
SCHEMBL15944434 0.71 MEN1 (0.39) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL15944393 0.71 RAB9A (0.36) HPGDKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL19455943 0.66 POLB (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL15944452 0.65 CRBN (0.36) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL14234217 0.65 MTNR1A (0.43) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL31356794 0.64 POLB (0.70) HPGDALDH1A1KMT2AMEN1MAPT

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 HPGD 1366/4885ALDH1A1 1329/4885KMT2A 466/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 HPGD 585/4885ALDH1A1 215/4885KMT2A 1181/4885

“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.