SCHEMBL708693

SCHEMBL708693

COC(=O)CSCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
CES1 P23141 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGER4 P35408 1/20 0.46
HPGD P15428 2/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FFAR1 O14842 1/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL11829624 0.91 MMP12 (0.56) KDM1AMMP12MMP13FFAR1
SCHEMBL11446340 0.83 MMP12 (0.69) KDM1ACES1MMP12MMP13PTGER4
SCHEMBL11826801 0.82 ALDH1A1 (0.48) KDM1AMMP12MMP13KMT2AL3MBTL1
SCHEMBL709703 0.82 MMP12 (0.67) CES1MMP12MMP13ALDH1A1MAPT
SCHEMBL29308029 0.80 MMP12 (0.65) CES1MMP12MMP13MAPTRXFP1
SCHEMBL5639254 0.80 HDAC1 (0.54) KDM1AKMT2AL3MBTL1HPGDADRB2
SCHEMBL11449287 0.80 ALOX5 (0.52) CES1MMP12MMP13KMT2AL3MBTL1
SCHEMBL560042 0.80 MAPK1 (0.59) L3MBTL1HPGDALDH1A1MAPTRXFP1
SCHEMBL15668868 0.79 LMNA (0.52) CES1MMP12MMP13KMT2AALDH1A1
SCHEMBL117432 0.78 MAPT (0.61) CES1ALDH1A1MAPTRXFP1MAPK1

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 8 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

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 KDM1A 847/4885CES1 22/4885MMP12 1957/4885

“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.