SCHEMBL13670575

SCHEMBL13670575

OCCCCCC(O)c1ccc(-c2ccc(Br)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
APP P05067 2/20 0.35
CYP3A4 P08684 1/20 0.35
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
PTGS1 P23219 3/20 0.34
MEN1 O00255 2/20 0.34
PTGS2 P35354 2/20 0.34
KMT2A Q03164 2/20 0.34
FABP2 P12104 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL14340711 0.86 MMP1 (0.45) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL13670580 0.86 HSD11B1 (0.41) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL14340714 0.83 CYP2C19 (0.35) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL4451882 0.82 HMOX1 (0.44) MEN1KMT2APTGER2IGF1RHMOX1
SCHEMBL4306374 0.80 PTGER2 (0.41) MEN1KMT2APTGER2IGF1RHMOX1
SCHEMBL28427156 0.80 PTGER2 (0.41) MEN1KMT2APTGER2IGF1RHMOX1
SCHEMBL4447562 0.80 ALDH1A1 (0.42) CYP3A4AKR1C3AKR1C2PTGS1MEN1
SCHEMBL3838782 0.78 PTGER2 (0.39) MEN1KMT2ACYP1A2PTGER2IGF1R
SCHEMBL13670578 0.77 CYP17A1 (0.37) AKR1C3AKR1C2ADRA2BPTGER2
SCHEMBL13670582 0.76 AOC3 (0.42) CYP2C9MEN1KMT2ADRD3LMNA

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 ALOX5AP 2617/4885FEN1 1906/4885MMP1 1592/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 ALOX5AP 1236/4885FEN1 2439/4885MMP1 2087/4885

“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.