SCHEMBL710937

SCHEMBL710937

COc1cccc(CCCCCCC(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
MAPT P10636 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MTNR1A P48039 2/20 0.59
MTNR1B P49286 2/20 0.59
PPARG P37231 1/20 0.58
PPARA Q07869 1/20 0.58
PTGFR P43088 1/20 0.57
CYP1A2 P05177 1/20 0.55
EPHX2 P34913 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54

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
SCHEMBL17274767 1.00 HDAC1 (0.72) HDAC1HDAC6MAPTRXFP1MTNR1A
SCHEMBL9663074 1.00 HDAC1 (0.72) HDAC1HDAC6MAPTRXFP1MTNR1A
SCHEMBL25035334 1.00 HDAC1 (0.72) HDAC1HDAC6MAPTRXFP1MTNR1A
SCHEMBL28188589 0.98 HDAC1 (0.70) HDAC1HDAC6MAPTRXFP1MTNR1A
SCHEMBL1206248 0.98 HDAC1 (0.70) HDAC1HDAC6MAPTRXFP1MTNR1A
Heptane SCHEMBL28189233 0.94 PPARA (0.67) HDAC1HDAC6MTNR1AMTNR1BPPARG
SCHEMBL7758273 0.94 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BPTGFR
SCHEMBL29669893 0.94 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BPTGFR
SCHEMBL28189252 0.93 PPARA (0.65) HDAC1HDAC6MTNR1AMTNR1BPPARG
SCHEMBL9663068 0.90 HDAC1 (0.60) HDAC1HDAC6MTNR1AMTNR1BPTGFR

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 13 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-8124778-B2 Tricyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-8124778-B2 Tricyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-8124778-B2 Tricyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-08-26 US disclosed
US-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-08-26 US disclosed
US-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-08-26 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-2161997-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE Boger, Dale L. (US) 2010-03-17 EP disclosed
EP-2068862-A2 SUBSTITUTED OXAZOLE KETONE MODULATORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2009-06-17 EP disclosed
WO-2008150492-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-11 WO disclosed
WO-2008150492-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-11 WO 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 (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-20100075931-A1 Substituted oxazole ketone modulators of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 HDAC1 109/4885HDAC6 307/4885MAPT 2362/4885
US-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FADS1, FAAH, SCD HDAC1 129/4885HDAC6 548/4885MAPT 3956/4885

“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.