SCHEMBL13670607

SCHEMBL13670607

O=C(CCCCCC(=O)c1ccc(I)cc1)c1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HDAC8 Q9BY41 6/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
HSD17B3 P37058 7/20 0.55
TPMT P51580 1/20 0.50

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
SCHEMBL16422179 0.90 HSD17B3 (0.71) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL5306901 0.89 NPC1 (0.54) L3MBTL1LMNAMAPTTDP1NPC1
SCHEMBL5660591 0.88 NPC1 (0.48) L3MBTL1LMNAMAPTTDP1NPC1
SCHEMBL3034657 0.88 L3MBTL1 (0.48) L3MBTL1LMNAMAPTTDP1NPC1
SCHEMBL13670554 0.87 HDAC1 (0.50) L3MBTL1LMNAMAPTTDP1NPC1
SCHEMBL5306907 0.87 NPC1 (0.52) L3MBTL1LMNAMAPTTDP1NPC1
SCHEMBL28134739 0.86 L3MBTL1 (0.47) L3MBTL1LMNAMAPTTDP1NPC1
SCHEMBL19757443 0.86 HSD17B3 (0.65) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL4936177 0.85 HSD17B3 (0.69) L3MBTL1NPC1RAB9AHSD17B3
SCHEMBL13670553 0.85 HDAC1 (0.47) L3MBTL1LMNAMAPTTDP1NPC1

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 L3MBTL1 1867/4885LMNA 2618/4885MAPT 3964/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 L3MBTL1 1560/4885LMNA 4621/4885MAPT 1399/4885

“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.