SCHEMBL13670549

SCHEMBL13670549

O=C(CCCCO)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44

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
SCHEMBL13670548 0.98 HDAC1 (0.50) GSK3BMMP2MMP9MMP8HDAC1
SCHEMBL7009491 0.93 L3MBTL1 (0.53) GSK3BHDAC1HDAC8RAB9AL3MBTL1
SCHEMBL29007092 0.89 GSK3B (0.57) GSK3BRAB9AL3MBTL1NPC1TDP1
SCHEMBL6138758 0.86 HDAC1 (0.59) GSK3BMMP2MMP9MMP8HDAC1
SCHEMBL13783720 0.84 SRD5A2 (0.56) RAB9ANPC1MAPTSMN1; SMN2HSD17B10
SCHEMBL11624922 0.84 HSD17B3 (0.64) GSK3BMMP2MMP9MMP8L3MBTL1
SCHEMBL4449883 0.84 HDAC1 (0.66) GSK3BHDAC1HDAC8RAB9AL3MBTL1
SCHEMBL27570052 0.84 GSK3B (0.57) GSK3BMMP2MMP9MMP8HDAC1
SCHEMBL13783715 0.83 SRD5A2 (0.55) HDAC1HDAC8L3MBTL1LMNATDP1
SCHEMBL4296986 0.83 SRD5A2 (0.55) HDAC1HDAC8L3MBTL1LMNATDP1

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 GSK3B 402/4885MMP2 3483/4885MMP9 2718/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 GSK3B 857/4885MMP2 3553/4885MMP9 3433/4885

“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.