SCHEMBL13670583

SCHEMBL13670583

OCCCCCC(O)c1ccc(-c2ccccc2I)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.36
HDAC1 Q13547 1/20 0.33
RIPK1 Q13546 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ADRB3 P13945 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.31
ALOX5 P09917 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4449695 0.82 LMNA (0.42) PTGER2RIPK1LMNAKDM4EL3MBTL1
SCHEMBL4447562 0.81 ALDH1A1 (0.42) PTGER2L3MBTL1
SCHEMBL13670576 0.80 PTGER2 (0.39) PTGER2HDAC1RIPK1HDAC8ADRB3
SCHEMBL29211080 0.77 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1
SCHEMBL29211140 0.77 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1
SCHEMBL29211089 0.77 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1
SCHEMBL29211135 0.77 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1
SCHEMBL8618795 0.77 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1
SCHEMBL21371750 0.77 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1
SCHEMBL28066940 0.77 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1

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-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-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-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
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
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 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 (2 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-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 PTGER2 954/4885HDAC1 109/4885RIPK1 116/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 PTGER2 1094/4885HDAC1 499/4885RIPK1 69/4885

“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.