SCHEMBL393404

SCHEMBL393404

CCCC(=O)OC(C)CC(=O)OC(C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 6/20 0.41
MAPK1 P28482 5/20 0.41
MAPT P10636 4/20 0.41
GMNN O75496 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
GLA P06280 1/20 0.40
PMP22 Q01453 1/20 0.40
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 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
SCHEMBL393403 1.00 CYP1A2 (0.41) CYP1A2ALDH1A1LMNAMAPK1MAPT
SCHEMBL20581480 0.96 ALDH1A1 (0.44) CYP1A2ALDH1A1LMNAMAPK1MAPT
SCHEMBL4362567 0.96 ALDH1A1 (0.44) CYP1A2ALDH1A1LMNAMAPK1MAPT
SCHEMBL29124665 0.86 CYP1A2 (0.40) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL3044276 0.85 LMNA (0.53) CYP1A2ALDH1A1LMNAMAPK1MAPT
SCHEMBL27650788 0.83 LMNA (0.61) CYP1A2ALDH1A1LMNAMAPK1MAPT
SCHEMBL2526939 0.82 CYP1A2 (0.49) CYP1A2ALDH1A1LMNAMAPK1MAPT
SCHEMBL8947469 0.81 MAPT (0.56) ALDH1A1LMNAMAPK1MAPTFAAH
SCHEMBL28623376 0.81 LMNA (0.65) CYP1A2ALDH1A1LMNAMAPK1MAPT
SCHEMBL12431977 0.81 LMNA (0.65) CYP1A2ALDH1A1LMNAMAPK1MAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329893-A1 THERAPEUTIC COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 2014-11-06 US claimed
US-20120071548-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2012-03-22 US claimed
US-20090253781-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2009-10-08 US claimed
US-20040266872-A1 Therapy of neuro-degenerative disorder by administering D-beta - hydroxybutyric acid, acetoacetate, or a metabolic precursor or physiologically acceptable salt of D- beta -hydroxybutyric acid or acetoacetate BTG INTERNATIONAL LIMITED (GB) 2004-12-30 US claimed
US-20010014696-A1 Therapeutic compositions (II) BTG INTERNATIONAL LIMITED (GB) 2001-08-16 US claimed
US-20180098956-A1 THERAPEUTIC COMPOSITIONS BTG INT LTD (GB) 2018-04-12 US disclosed
US-20140329893-A1 THERAPEUTIC COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 2014-11-06 US disclosed
US-20130079406-A1 THERAPEUTIC COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 2013-03-28 US disclosed
US-20120071548-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2012-03-22 US disclosed
US-8101653-B2 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2012-01-24 US disclosed
US-20090253781-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2009-10-08 US disclosed
US-7485743-B2 Oligomeric ketone compounds BTG INTERNATIONAL LIMITED (GB) 2009-02-03 US disclosed
US-6380244-B2 USEFUL FOR SEIZURE CONTROL, METABOLIC DISEASE CONTROL, REDUCTION OF PROTEIN CATABOLISM, APPETITE SUPPRESSION, PARENTERAL NUTRITION, INCREASING CARDIAC EFFICIENCY, THERAPY OF DIABETES AND INSULIN RESISTANT STATES METABOLIX, INC. 2002-04-30 US disclosed
US-20020013339-A1 NUTRITIONAL AND THERAPEUTIC USES OF 3-HYDROXYALKANOATE OLIGOMERS CJ CHEILJEDANG CORPORATION (KR) 2002-01-31 US disclosed
US-6323237-B1 NEURODEGENERATIVE DISORDER, MEMORY LOSS WITH AGING, INABILITY TO METABOLIZE GLUCOSE AND ENZYME INHIBITORS FOR PYRUVATE DEHYDROGENASE BTG INTERNATIONAL LIMITED (GB) 2001-11-27 US disclosed
US-20010041736-A1 Therapy for nervous system disorders BTG INTERNATIONAL LIMITED 2001-11-15 US disclosed
US-20010014696-A1 Therapeutic compositions (II) BTG INTERNATIONAL LIMITED (GB) 2001-08-16 US disclosed
EP-1098655-A2 NUTRITIONAL AND THERAPEUTIC USES OF 3-HYDROXYALKANOATE OLIGOMERS METABOLIX, INC. (US) 2001-05-16 EP disclosed
US-6207856-B1 INSULIN RESISTANCE, CARDIAC EFFICIENCY, TREATING DISORDERS CAUSED BY DAMAGE TO BRAIN CELLS IN MEMORY, KETONE BODIES, POLYESTERS OF 3-HYDROXYBUTYRIC ACID BTG INTERNATIONAL LIMITED (GB) 2001-03-27 US disclosed
WO-2000004895-A2 NUTRITIONAL AND THERAPEUTIC USES OF 3-HYDROXYALKANOATE OLIGOMERS METABOLIX, INC. (US) 2000-02-03 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 (9 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-20120071548-A1 Therapeutic compositions CPT1B, GYS1, IAPP CYP1A2 3678/4885ALDH1A1 1112/4885LMNA 437/4885
US-20010014696-A1 Therapeutic compositions (II) CPT1B, GYS1, IAPP CYP1A2 3501/4885ALDH1A1 1178/4885LMNA 394/4885
US-20180098956-A1 THERAPEUTIC COMPOSITIONS CPT1B, IAPP, GYS1 CYP1A2 3778/4885ALDH1A1 1008/4885LMNA 433/4885
US-20010041736-A1 Therapy for nervous system disorders GYS1, CPT1B, PYGB CYP1A2 2579/4885ALDH1A1 1076/4885LMNA 665/4885
US-20130079406-A1 THERAPEUTIC COMPOSITIONS CPT1B, GYS1, IAPP CYP1A2 3678/4885ALDH1A1 1112/4885LMNA 437/4885
US-20040266872-A1 Therapy of neuro-degenerative disorder by administering D-beta - hydroxybutyric acid, acetoacetate, or a metabolic precursor or physiologically acceptable salt of D- beta -hydroxybutyric acid or acetoacetate CPT1B, BDNF, IAPP CYP1A2 4419/4885ALDH1A1 672/4885LMNA 1150/4885
US-20140329893-A1 THERAPEUTIC COMPOSITIONS CPT1B, GYS1, IAPP CYP1A2 3678/4885ALDH1A1 1112/4885LMNA 437/4885
US-20020013339-A1 NUTRITIONAL AND THERAPEUTIC USES OF 3-HYDROXYALKANOATE OLIGOMERS HACD3, IAPP, HCN3 CYP1A2 3600/4885ALDH1A1 3032/4885LMNA 3664/4885
US-20090253781-A1 Therapeutic compositions CPT1B, GYS1, IAPP CYP1A2 3678/4885ALDH1A1 1112/4885LMNA 437/4885

“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.