SCHEMBL713145

SCHEMBL713145

CC(C)(C)OC(=O)CCCCCSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.43
PTGS2 P35354 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7516437 0.98 ALDH1A1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12470718 0.94 ALDH1A1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12685572 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20545180 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20544596 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7364397 0.81 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8037703 0.81 ALDH1A1 (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL712992 0.79 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14544471 0.79 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7867128 0.78 FFAR1 (0.55) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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 7 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-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
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 HDAC1 129/4885HDAC2 530/4885HDAC3 95/4885

“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.