SCHEMBL13670557

SCHEMBL13670557

O=C(CCCCO)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
TTR P02766 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
DHFR P00374 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALB P02768 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
CXCL12 P48061 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ACMSD Q8TDX5 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
SCHEMBL13670560 0.99 NPC1 (0.51) NPC1RAB9AHTR7ALDH1A1MEN1
SCHEMBL11545584 0.89 ALDH1A1 (0.49) NPC1RAB9AHTR7ALDH1A1MEN1
SCHEMBL13670550 0.85 HDAC1 (0.51) NPC1RAB9AHTR7MEN1LMNA
SCHEMBL13670559 0.84 NPC1 (0.69) NPC1RAB9AHTR7ALDH1A1MEN1
SCHEMBL11758065 0.84 LMNA (0.54) NPC1RAB9AALDH1A1MEN1LMNA
SCHEMBL13670551 0.83 NPC1 (0.67) NPC1RAB9AHTR7ALDH1A1LMNA
SCHEMBL19566829 0.82 NPC1 (0.43) NPC1RAB9AHTR7MAPK14RARB
SCHEMBL15075713 0.82 NPC1 (0.77) NPC1RAB9AHTR7ALDH1A1MEN1
SCHEMBL13670546 0.82 L3MBTL1 (0.56) NPC1RAB9AHTR7ALDH1A1MEN1
SCHEMBL5253938 0.81 NPC1 (0.74) NPC1RAB9AHTR7ALDH1A1LMNA

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 NPC1 1326/4885RAB9A 2574/4885HTR7 3076/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 NPC1 1550/4885RAB9A 882/4885HTR7 4806/4885

“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.