SCHEMBL13670751

SCHEMBL13670751

CCCCCCC(O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
GCGR P47871 7/20 0.42
PTGER2 P43116 2/20 0.40
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40

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
SCHEMBL9906758 0.95 AOC3 (0.49) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL19391256 0.95 AOC3 (0.49) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL10327448 0.95 AOC3 (0.49) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL8102586 0.93 AOC3 (0.50) AOC3MEN1KMT2AS1PR2S1PR1
SCHEMBL18503058 0.87 AOC3 (0.52) AOC3MEN1KMT2ADRD3
SCHEMBL13670582 0.84 AOC3 (0.42) AOC3MEN1KMT2APTGER2DRD3
SCHEMBL22034390 0.84 HIF1A (0.47) S1PR2S1PR1S1PR3LPAR2CHRM2
SCHEMBL22034389 0.84 HIF1A (0.47) S1PR2S1PR1S1PR3LPAR2CHRM2
SCHEMBL29861002 0.83 BDKRB2 (0.48) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL13670523 0.82 LMNA (0.48) S1PR2S1PR1S1PR3LPAR2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 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-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 AOC3 1766/4885MEN1 2686/4885KMT2A 523/4885

“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.