SCHEMBL13670571

SCHEMBL13670571

O=C(CCCCO)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
FAAH O00519 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
ADAMTS4 O75173 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AVPR2 P30518 1/20 0.42
AVPR1A P37288 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41

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
SCHEMBL13670567 0.99 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL11760551 0.84 LMNA (0.59) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL14494917 0.81 ALDH1A1 (0.57) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL13291885 0.80 ALDH1A1 (0.49) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL13670565 0.80 GSK3B (0.54) ALDH1A1TDP1MAPTHDAC1HDAC8
SCHEMBL13670564 0.78 GSK3B (0.53) ALDH1A1TDP1HDAC1HDAC8HDAC3
SCHEMBL11828669 0.78 HRH2 (0.48) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL2349847 0.77 ALDH1A1 (0.70) ALDH1A1TDP1LMNAMAPTADAMTS4
SCHEMBL4449883 0.77 HDAC1 (0.66) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL13670546 0.77 L3MBTL1 (0.56) ALDH1A1TDP1LMNAMAPTL3MBTL1

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 9 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
EP-1638544-B1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2007-12-05 EP 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 ALDH1A1 1832/4885TDP1 2044/4885LMNA 2618/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 ALDH1A1 673/4885TDP1 1789/4885LMNA 4621/4885

“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.