SCHEMBL3145532

SCHEMBL3145532

COc1cccc(CCCCCCC=O)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CHRM2 P08172 4/20 0.55
CHRM1 P11229 3/20 0.55
CHRM3 P20309 3/20 0.55
TAAR1 Q96RJ0 1/20 0.54
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
PPARA Q07869 2/20 0.50
ACHE P22303 1/20 0.50
PPARG P37231 1/20 0.49

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
SCHEMBL20964409 1.00 HDAC1 (0.58) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL9627105 0.98 CHRM2 (0.56) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL8358192 0.94 CHRM2 (0.58) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL417948 0.87 TAAR1 (0.61) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002124 0.87 TAAR1 (0.69) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL21002162 0.85 TAAR1 (0.71) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL16984603 0.84 CHRM2 (0.55) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL13639167 0.83 HDAC1 (0.57) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL14167525 0.83 HDAC1 (0.57) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL11197529 0.83 CHRM2 (0.58) CHRM2CHRM1CHRM3PPARAPPARG

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-8268817-B2 Substituted oxazole ketone modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-18 US disclosed
US-20100075931-A1 Substituted oxazole ketone modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2010-03-25 US disclosed
EP-2068862-A2 SUBSTITUTED OXAZOLE KETONE MODULATORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2009-06-17 EP disclosed
WO-2008030532-A2 SUBSTITUTED OXAZOLE KETONE MODULATORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-13 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-20100075931-A1 Substituted oxazole ketone modulators of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 HDAC1 109/4885HDAC6 307/4885CHRM2 4301/4885

“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.