SCHEMBL4455728

SCHEMBL4455728

COC(=O)c1ccc2c(c1C(N)=O)Cc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.45
HTR7 P34969 2/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
TRPA1 O75762 4/20 0.41
MAPT P10636 4/20 0.41
MITF O75030 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTR2C P28335 2/20 0.40
MAPK1 P28482 1/20 0.40
PNMT P11086 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL30647966 0.86 HTR2B (0.51) HTR2BHTR7RAB9ANPC1TRPA1
SCHEMBL9486 0.80 TRPA1 (0.57) HTR2BHTR7RAB9ANPC1TRPA1
SCHEMBL27663691 0.78 RAB9A (0.45) HTR2BHTR7RAB9ANPC1TRPA1
SCHEMBL29203884 0.78 LMNA (0.47) HTR2BHTR7RAB9ANPC1TRPA1
SCHEMBL27266762 0.77 GABRP (0.51) RAB9ANPC1MAPTMITFKDM4E
SCHEMBL27736870 0.74 ALDH1A1 (0.47) RAB9ANPC1TRPA1MAPTMITF
SCHEMBL7937330 0.74 RAB9A (0.51) HTR2BHTR7RAB9ANPC1MAPT
SCHEMBL4427882 0.73 CYP3A4 (0.36) HTR2BHTR7RAB9ANPC1MAPT
Fluorene SCHEMBL147376 0.72 HTR2B (0.51) HTR2BHTR7RAB9ANPC1MAPT
SCHEMBL31158183 0.72 HSP90AA1 (0.50) HTR2BHTR7RAB9ANPC1TRPA1

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 7 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-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
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
EP-1638544-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2006-03-29 EP disclosed
WO-2004098582-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-11-18 WO 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 HTR2B 4773/4885HTR7 3076/4885RAB9A 2574/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 HTR2B 4802/4885HTR7 4806/4885RAB9A 882/4885

“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.