SCHEMBL6358713

SCHEMBL6358713

COc1c[c]cc2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
PKM P14618 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 2/20 0.31
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL688159 0.85 CYP3A4 (0.46) ALDH1A1POLBLMNACYP3A4HPGD
SCHEMBL910239 0.74 ADRA2A (0.34) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL6837924 0.71 CTNNB1 (0.57) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL909942 0.69 ITGB2 (0.32) ALDH1A1MAPT
SCHEMBL11023512 0.69 MEN1 (0.36) LMNAHPGDMAPTHTT
SCHEMBL14813340 0.69 ITGB2 (0.32)
SCHEMBL11999824 0.69 PLK1 (0.54) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL12184928 0.68 PLK1 (0.53) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL15988845 0.68 KDM4E (0.66) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL15988653 0.67 POLB (0.44) PLK1ALDH1A1KDM4EPOLBTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 US claimed
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof AVENTIS PHARMA S.A. 2005-09-15 US disclosed
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 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-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF MCL1, ENPP1, MYC PLK1 1207/4885ALDH1A1 161/4885KDM4E 1899/4885
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof MCL1, ENPP1, MYC PLK1 1207/4885ALDH1A1 161/4885KDM4E 1899/4885

“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.