SCHEMBL13670598

SCHEMBL13670598

CN(C)CCCCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
USP2 O75604 1/20 0.63
L3MBTL1 Q9Y468 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 1/20 0.60
HDAC1 Q13547 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
LMNA P02545 2/20 0.57
FFAR1 O14842 1/20 0.57
CYP1A2 P05177 1/20 0.57
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 1/20 0.53
AGTR1 P30556 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 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
SCHEMBL2834533 0.90 L3MBTL1 (0.68) KDM4EALDH1A1USP2L3MBTL1HDAC1
SCHEMBL27864732 0.88 L3MBTL1 (0.71) L3MBTL1HDAC1HDAC8LMNARAB9A
Hydrochloric Acid SCHEMBL8531645 0.87 KDM4E (0.67) KDM4EALDH1A1USP2L3MBTL1SMN1; SMN2
Bromide SCHEMBL28652885 0.87 L3MBTL1 (0.69) L3MBTL1HDAC1HDAC8LMNARAB9A
SCHEMBL13472214 0.86 HDAC3 (0.53) KDM4EALDH1A1USP2L3MBTL1HDAC1
SCHEMBL16203496 0.86 HDAC1 (0.61) KDM4EALDH1A1USP2HDAC1HDAC8
SCHEMBL13472222 0.85 HDAC1 (0.55) L3MBTL1HDAC1HDAC8LMNAMAPT
SCHEMBL6824194 0.84 KMT2A (0.67) KDM4EALDH1A1USP2L3MBTL1SMN1; SMN2
SCHEMBL14380379 0.83 HDAC8 (0.61) KDM4EALDH1A1USP2L3MBTL1SMN1; SMN2
SCHEMBL9670891 0.82 GSR (0.58) RAB9AKMT2AEGFR

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 KDM4E 773/4885ALDH1A1 1832/4885USP2 4079/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 KDM4E 76/4885ALDH1A1 673/4885USP2 3568/4885

“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.