SCHEMBL4083647

SCHEMBL4083647

CCOC(=O)C(F)CCCc1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL2178506 0.87 MAPK1 (0.70) MAPK1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7642003 0.84 MAPK1 (0.62) MAPK1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL1856039 0.81 L3MBTL1 (0.50) MAPK1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL7641046 0.80 MAPK1 (0.48) MAPK1L3MBTL1MTNR1AMTNR1BTSHR
SCHEMBL1856638 0.79 PPARA (0.59) MTNR1AMTNR1BALDH1A1HDAC1HDAC6
SCHEMBL1206811 0.77 HDAC1 (0.64) MTNR1AMTNR1BHDAC1HDAC6PPARG
SCHEMBL7642001 0.77 MTNR1A (0.56) MTNR1AMTNR1BHDAC1HDAC6PPARG
SCHEMBL17274751 0.76 HDAC1 (0.66) MTNR1AMTNR1BHDAC1HDAC6PPARG
SCHEMBL28820181 0.76 MTNR1A (0.57) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL28020307 0.76 MTNR1A (0.57) MTNR1AMTNR1BHDAC1HDAC6CHRM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 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-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 MAPK1 1725/4885L3MBTL1 3283/4885MTNR1A 3333/4885

“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.