SCHEMBL13670562

SCHEMBL13670562

O=C(CCCCO)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
PGR P06401 1/20 0.45
FAAH O00519 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC2 Q92769 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MME P08473 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C18 P33260 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TDP2 O95551 2/20 0.43

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
SCHEMBL13670566 0.99 MMP2 (0.58) MMP2MMP9MMP8PGRFAAH
SCHEMBL27869846 0.87 MMP2 (0.56) MMP2MMP9MMP8PGRFAAH
SCHEMBL13670565 0.86 GSK3B (0.54) MMP8POLBMAPK1HDAC2CES2
SCHEMBL13670564 0.85 GSK3B (0.53) MMP8POLBMAPK1HDAC2CES1
SCHEMBL11756699 0.84 FFAR1 (0.62) MMP2MMP9MMP8PGRPOLB
SCHEMBL4449883 0.78 HDAC1 (0.66) HDAC2HDAC1HDAC8
SCHEMBL3765312 0.77 TP53 (0.67) MMP2MMP9MMP8POLBMAPK1
SCHEMBL4479257 0.77 GSK3B (0.61) MMP8MAPK1CES2CES1
SCHEMBL4443771 0.77 HDAC8 (0.69) HDAC2HDAC1HDAC8
SCHEMBL27889371 0.76 TSHR (0.68) MMP2MMP9MMP8POLBMAPK1

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 MMP2 3483/4885MMP9 2718/4885MMP8 1005/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 MMP2 3553/4885MMP9 3433/4885MMP8 4055/4885

“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.