SCHEMBL711239

SCHEMBL711239

CCOC(=O)CCCCCC(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ASAH1 Q13510 1/20 0.49
FAAH O00519 2/20 0.47
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX5 P09917 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TOP2A P11388 1/20 0.45
PPARA Q07869 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
SCHEMBL27466587 0.94 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL2512047 0.89 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL10690727 0.88 LTA4H (0.56) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL11088418 0.87 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
Phenyl Ethanol SCHEMBL15170493 0.84 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL11375764 0.83 PPARG (0.54) ASAH1PPARGPPARA
SCHEMBL11386674 0.82 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL6829760 0.81 LTA4H (0.51) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL6138915 0.80 TSHR (0.44) CYP4F2CYP4A11ALDH1A1FAAHNPC1
SCHEMBL7708867 0.80 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11

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 10 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
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
WO-2008150492-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-11 WO disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 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-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FADS1, FAAH, SCD CYP3A4 591/4885CYP2D6 1081/4885CYP2C19 933/4885

“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.