SCHEMBL6546169

SCHEMBL6546169

C=CCOP(=O)(OCC=C)c1ccccc1CC=C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LIG1 P18858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6546173 0.84 GABRA1 (0.38) GABRA1GABRB2KDM4ECYP3A4PKM
SCHEMBL11870406 0.78 GABRA1 (0.42) GABRA1GABRB2KDM4EALDH1A1MEN1
SCHEMBL8651875 0.78 PKM (0.38) CYP3A4PKMSMN1; SMN2ALDH1A1LIG1
SCHEMBL30925396 0.77 ALOX15 (0.38) GABRA1GABRB2KDM4ECYP3A4PKM
SCHEMBL253410 0.75 POLB (0.44) GABRA1GABRB2KDM4EALDH1A1
SCHEMBL4532535 0.74 GABRA1 (0.39) GABRA1GABRB2KDM4EALDH1A1MEN1
SCHEMBL331731 0.73 PKM (0.49) CYP3A4PKMSMN1; SMN2ALDH1A1LIG1
SCHEMBL9417622 0.72 SRC (0.42) KDM4EALDH1A1LIG1
SCHEMBL6545832 0.71 KDM4E (0.34) KDM4EMEN1KMT2A
SCHEMBL28332945 0.71 ALDH1A1 (0.41) GABRA1GABRB2KDM4ECYP3A4PKM

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
EP-1379533-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS Leo Pharma A/S (DK) 2004-01-14 EP disclosed
US-6605742-B2 Rheumatic diseases; antiarthritic agents; antitumor agents LEO PHARMA A/S (DK) 2003-08-12 US disclosed
US-20020177706-A1 Novel cyclo azaphospha hydrocarbons LEO PHARMA A/S (DK) 2002-11-28 US disclosed
WO-2002083696-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS LEO PHARMA A/S (DK) 2002-10-24 WO 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 (1 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-20020177706-A1 Novel cyclo azaphospha hydrocarbons CMA1, MMP9, CPA1 GABRA1 3513/4885GABRB2 4249/4885KDM4E 1569/4885

“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.