SCHEMBL2584487

SCHEMBL2584487

O=C(OCc1c(F)cccc1F)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALKBH1 Q13686 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2577721 0.83 ALDH1A1 (0.50) MMP1MMP2MMP9MMP12MEN1
SCHEMBL6652016 0.81 HTR2A (0.55) MMP1MMP2MMP9MMP12MEN1
SCHEMBL697595 0.77 KMT2A (0.60) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL9407475 0.77 LMNA (0.50) MMP1MMP2MMP9MMP12MEN1
SCHEMBL322125 0.76 MAPT (0.44) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL1581585 0.74 ALOX15 (0.57) MEN1KMT2AHSD17B10MAPTTDP1
SCHEMBL8646552 0.74 THRB (0.47) MEN1KMT2AHSD17B10MAPTTDP1
SCHEMBL10025073 0.74 MAPT (0.46) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL21980920 0.73 KMT2A (0.54) MMP1MMP2MMP9MMP12MEN1
SCHEMBL6901171 0.73 MMP1 (0.53) MMP1MMP2MMP9MMP12MEN1

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-8067456-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) AETERNA ZENTARIS GMBH (DE) 2011-11-29 US disclosed
US-20080280965-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) KLAUS PAULINI, ET AL. 2008-11-13 US disclosed
US-7375127-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) AE ZENTARIS GMBH (DE) 2008-05-20 US disclosed
US-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2006-01-19 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-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) GPR88, GPR34, GPR35 MMP1 3011/4885MMP2 2616/4885MMP9 3731/4885
US-20080280965-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) GPR35, GPR88, GPBAR1 MMP1 2931/4885MMP2 3054/4885MMP9 3581/4885

“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.