SCHEMBL711600

SCHEMBL711600

CCCCC=Cc1cccc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
PDE5A O76074 1/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
OPRM1 P35372 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
UNG P13051 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
BRD4 O60885 1/20 0.36
OXER1 Q8TDS5 1/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL711599 1.00 ALDH1A1 (0.40) ALDH1A1TLR4TLR2PDE5AMAOA
SCHEMBL8498180 0.93 FAAH (0.43) OPRM1TDP1
SCHEMBL8498184 0.93 FAAH (0.43) OPRM1TDP1
SCHEMBL711621 0.82 ALDH1A1 (0.44) ALDH1A1PDE5ALMNA
SCHEMBL13455425 0.82 ALDH1A1 (0.45) ALDH1A1MAOAMAOBCHRM2CHRM1
SCHEMBL711622 0.82 ALDH1A1 (0.44) ALDH1A1PDE5ALMNA
SCHEMBL4862294 0.81 KDM4E (0.55) ALDH1A1PDE5AHDAC3BIDBCL2L1
SCHEMBL106151 0.81 PTGS1 (0.46) PDE5AMAOAMAOBLMNANPC1
SCHEMBL27851001 0.81 PTGS1 (0.46) PDE5AMAOAMAOBLMNANPC1
SCHEMBL15051287 0.79 APP (0.46) TLR4TLR2PDE5A

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 ALDH1A1 753/4885TLR4 4372/4885TLR2 4417/4885

“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.