SCHEMBL6545602

SCHEMBL6545602

C=CCOP(=O)(O)c1ccc(Oc2ccc(Cl)cc2)cc1CC=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
MMP1 P03956 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL6545064 0.81 MAPT (0.43) CA9CA14KDM4EMAPTLMNA
SCHEMBL6545935 0.78 GAA (0.39) CA9MAPTLMNAMEN1KMT2A
SCHEMBL6546173 0.74 GABRA1 (0.38) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3550152 0.74 GABRA1 (0.53) PTGDRPTGDR2KDM4EMAPTLMNA
SCHEMBL6545599 0.71 MAOA (0.38) CA2MMP2MMP9MMP8MMP14
SCHEMBL6545926 0.68 GAA (0.38) CA2MMP2MMP8MMP14CA9
SCHEMBL30132473 0.68 AR (0.52) PTGDRPTGDR2KDM4EMAPTMEN1
SCHEMBL28332945 0.66 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2AHIF1A
SCHEMBL6546158 0.65 ALDH1A1 (0.42) LMNAKMT2AALDH1A1HPGDGAA
SCHEMBL3548978 0.65 HPGD (0.49) CA2CA9KDM4EMAPTLMNA

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 CA2 1491/4885MMP2 27/4885MMP9 2/4885

“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.