SCHEMBL709052

SCHEMBL709052

O=C(O)CCCOCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.66
MAPK1 P28482 1/20 0.66
ADRA1A P35348 1/20 0.66
HDAC4 P56524 1/20 0.66
SLC6A3 Q01959 1/20 0.66
HDAC1 Q13547 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
MAPT P10636 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
KEAP1 Q14145 1/20 0.59
FFAR1 O14842 8/20 0.56
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL7843032 0.93 MAPT (0.68) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1007091 0.93 MAPT (0.68) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1007391 0.89 MAPT (0.73) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL3584403 0.89 KEAP1 (0.63) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL5969811 0.86 MAPT (0.79) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1007747 0.86 MAPT (0.73) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1006037 0.86 MAPT (0.73) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL711487 0.85 HDAC3 (0.66) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL2161577 0.85 TDP1 (0.62) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL24756824 0.84 SMN1; SMN2 (0.53) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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-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
EP-2161997-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE Boger, Dale L. (US) 2010-03-17 EP disclosed
WO-2008150492-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-11 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-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FADS1, FAAH, SCD HDAC3 95/4885MAPK1 3261/4885ADRA1A 2633/4885

“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.