SCHEMBL13670579

SCHEMBL13670579

Cc1ccc(-c2ccc(C(O)CCCCCO)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PTGER2 P43116 1/20 0.38
FAAH O00519 1/20 0.38
MCL1 Q07820 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GCG P01275 1/20 0.32
SLC6A3 Q01959 1/20 0.32
RARB P10826 1/20 0.31
CYP17A1 P05093 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
HDAC1 Q13547 1/20 0.31
ADRB3 P13945 1/20 0.31
ALOX5 P09917 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HTT P42858 1/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL13670576 0.80 PTGER2 (0.39) PTGER2S1PR2S1PR1S1PR3LPAR2
SCHEMBL4449695 0.78 LMNA (0.42) PTGER2SLC6A3
SCHEMBL13670578 0.78 CYP17A1 (0.37) PTGER2CYP17A1ADRB3
SCHEMBL14340640 0.77 PTGER2 (0.39) PTGER2S1PR2S1PR1S1PR3LPAR2
SCHEMBL4451882 0.77 HMOX1 (0.44) ALDH1A1PTGER2HDAC1HDAC8
SCHEMBL13670577 0.77 AOC3 (0.42) PTGER2FFAR1
SCHEMBL13670582 0.77 AOC3 (0.42) PTGER2
SCHEMBL19391587 0.72 BLM (0.37) SLC6A3HDAC1ADRB3HDAC8
SCHEMBL28351212 0.72 TAAR1 (0.52) ALDH1A1PTGER2CNR1SLC6A3
SCHEMBL13670584 0.71 ALDH1A1 (0.55) ALDH1A1

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 ALDH1A1 1832/4885PTGER2 954/4885FAAH 3297/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 ALDH1A1 673/4885PTGER2 1094/4885FAAH 1332/4885

“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.