SCHEMBL13670627

SCHEMBL13670627

CC(=O)NCCCCC(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CASR P41180 1/20 0.43
NAMPT P43490 1/20 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
SCHEMBL8103817 0.86 MTNR1A (0.67) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL25496786 0.86 MTNR1A (0.67) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL13670622 0.85 BCAT2 (0.54) MMP2MMP9DRD2DRD4DRD3
SCHEMBL28694793 0.81 MTNR1A (0.74) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL8419392 0.81 MTNR1A (0.74) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL13670617 0.78 POLB (0.49) MMP1MMP2MMP9MMP14DRD3
SCHEMBL11136152 0.78 ADRA1A (0.50) MTNR1AMTNR1BSMN1; SMN2KDM4EMAPK1
SCHEMBL7487803 0.78 NAAA (0.50) MTNR1AMTNR1BL3MBTL1NPC1RAB9A
SCHEMBL10993868 0.76 FFAR1 (0.49) MMP2MMP9MMP14RAB9ASMN1; SMN2
SCHEMBL13670523 0.76 LMNA (0.48) NPC1RAB9ASMN1; SMN2KDM4EPTGS2

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 MTNR1A 1248/4885MTNR1B 1836/4885L3MBTL1 1867/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 MTNR1A 4183/4885MTNR1B 4009/4885L3MBTL1 1560/4885

“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.