SCHEMBL17067904

SCHEMBL17067904

COC(=O)C(O)C1CCc2cc(Oc3ccccc3)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.54
MCHR1 Q99705 1/20 0.49
NPY5R Q15761 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL11598566 0.86 CA1 (0.55) CA1CA2ACHE
SCHEMBL17067873 0.81 FAAH (0.51) FAAHMCHR1
SCHEMBL17067937 0.79 FAAH (0.68) FAAH
SCHEMBL17067891 0.79 FAAH (0.69) FAAH
SCHEMBL12472187 0.78 FAAH (0.48) FAAHMCHR1
SCHEMBL12471707 0.78 FAAH (0.67) FAAH
SCHEMBL11476520 0.77 CA1 (0.53) CA1CA2ACHE
SCHEMBL9367720 0.76 KMT2A (0.43)
SCHEMBL12472224 0.75 FAAH (0.48) FAAHMCHR1
SCHEMBL10197685 0.74 FAAH (0.60) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504675-B2 Alpha-ketoheterocycles and methods of making and using THE SCRIPPS RESEARCH INSTITUTE (US) 2016-11-29 US disclosed
US-9504675-B2 Alpha-ketoheterocycles and methods of making and using THE SCRIPPS RESEARCH INSTITUTE (US) 2016-11-29 US disclosed
US-9504675-B2 Alpha-ketoheterocycles and methods of making and using THE SCRIPPS RESEARCH INSTITUTE (US) 2016-11-29 US disclosed
EP-2670245-B1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING SCRIPPS RESEARCH INST (US) 2015-09-09 EP disclosed
EP-2670245-B1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING SCRIPPS RESEARCH INST (US) 2015-09-09 EP disclosed
US-20130338196-A1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING THE SCRIPPS RESEARCH INSTITUTE (US) 2013-12-19 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 (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-20130338196-A1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING FAAH, FAAH2, CNR2 FAAH 1/4885MCHR1 1485/4885NPY5R 693/4885

“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.