SCHEMBL12879433

SCHEMBL12879433

CCOC(=O)N1Cc2ccc(O)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.57
ESR2 Q92731 5/20 0.52
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48

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
SCHEMBL3874751 0.88 ESR2 (0.61) ABHD6ESR2MAPTGAAKDM4E
SCHEMBL21800344 0.82 TMEM97 (0.66) ABHD6TMEM97SIGMAR1HRH2HRH1
SCHEMBL9757554 0.81 NAMPT (0.56) TMEM97SIGMAR1HRH2HRH1HRH3
SCHEMBL1295224 0.81 ESR2 (0.57) ESR2MAPTGAAKDM4ELMNA
SCHEMBL6677698 0.81 NOTUM (0.57) MAPTGAALMNAHSP90AA1KMT2A
SCHEMBL1168098 0.79 ESR2 (0.79) ABHD6ESR2ESR1KMT2AMAPK1
SCHEMBL14067114 0.78 NOTUM (0.62) ABHD6ESR2DRD1HSP90AA1ESR1
SCHEMBL12187763 0.77 TMEM97 (0.74) ABHD6MAPTGAAKDM4ELMNA
SCHEMBL12187764 0.77 POLB (0.46) MAPTLMNA
SCHEMBL21465756 0.77 ESR2 (0.55) ESR2LMNATMEM97SIGMAR1HRH2

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-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA ABHD6 2598/4885ESR2 4096/4885MAPT 3464/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA ABHD6 2598/4885ESR2 4096/4885MAPT 3464/4885

“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.