SCHEMBL804333

SCHEMBL804333

C[C@@H]1CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)O1

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.94
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
MAOA P21397 6/20 0.38
MAOB P27338 5/20 0.36
BRD4 O60885 4/20 0.36
CREBBP Q92793 4/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PBRM1 Q86U86 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CRBN Q96SW2 1/20 0.33

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
SCHEMBL23621134 1.00 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL30075317 1.00 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL22001696 1.00 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL20582013 1.00 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL9301611 1.00 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB
SCHEMBL432483 0.97
SCHEMBL35509 0.97
SCHEMBL374192 0.97
Potassium SCHEMBL30020888 0.94
Water SCHEMBL7174460 0.94 SMN1; SMN2 (0.94) SMN1; SMN2CA1CA9MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098956-A1 THERAPEUTIC COMPOSITIONS BTG INT LTD (GB) 2018-04-12 US disclosed
US-20180036274-A1 USE OF MEDIUM CHAIN TRIGLYCERIDES FOR THE TREATMENT AND PREVENTION OF ALZHEIMER'S DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM II ACCERA, INC. 2018-02-08 US disclosed
US-20170196827-A1 Ketone Bodies To Protect Tissues From Damage By Ionizing Radiation TDELTAS (GB) 2017-07-13 US disclosed
US-20170196827-A1 Ketone Bodies To Protect Tissues From Damage By Ionizing Radiation TDELTAS (GB) 2017-07-13 US disclosed
EP-1778213-B1 A METHOD FOR THE SYNTHESIS OF OLIGOMERIC COMPOUNDS BTG INT LTD (GB) 2017-04-05 EP disclosed
US-9603823-B2 Use of medium chain triglycerides for the treatment and prevention of Alzheimer's disease and other diseases resulting from reduced neuronal metabolism II ACCERA, INC. (US) 2017-03-28 US disclosed
US-9579302-B2 Ketone bodies to protect tissues from damage by ionizing radiation TDELTAS (GB) 2017-02-28 US disclosed
US-9579302-B2 Ketone bodies to protect tissues from damage by ionizing radiation TDELTAS (GB) 2017-02-28 US disclosed
US-20160030376-A1 Use of Genomic Testing and Ketogenic Compounds for Treatment of Reduced Cognitive Function Cerecin Inc. 2016-02-04 US disclosed
US-9175345-B2 Use of genomic testing and ketogenic compounds for treatment of reduced cognitive function ACCERA, INC. (US) 2015-11-03 US disclosed
US-20090253781-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2009-10-08 US disclosed
US-20090253781-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2009-10-08 US disclosed
US-20080287372-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment ACCERA, INC. (US) 2008-11-20 US disclosed
US-7351736-B2 Therapeutic compositions (II) BTG INTERNATIONAL LIMITED (GB) 2008-04-01 US disclosed
US-7351736-B2 Therapeutic compositions (II) BTG INTERNATIONAL LIMITED (GB) 2008-04-01 US disclosed
US-20080009467-A1 COMBINATIONS OF MEDIUM CHAIN TRIGLYCERIDES AND THERAPEUTIC AGENTS FOR THE TREATMENT AND PREVENTION OF ALZHEIMERS DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM ACCERA, INC. (US) 2008-01-10 US disclosed
US-20070208081-A1 Oligomeric Compounds BTG INTERNATIONAL LIMITED (GB) 2007-09-06 US disclosed
US-20070179197-A1 COMPOSITIONS AND METHODS FOR IMPROVING OR PRESERVING BRAIN FUNCTION ACCERA, INC. (US) 2007-08-02 US disclosed
US-20070135376-A1 METHOD TO REDUCE OXIDATIVE DAMAGE AND IMPROVE MITOCHONDRIAL EFFICIENCY ACCERA, INC. (US) 2007-06-14 US disclosed
EP-1123094-B1 THERAPEUTIC COMPOSITIONS (II) BTG INT LTD (GB) 2007-04-11 EP 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 (10 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-20070208081-A1 Oligomeric Compounds ADH1C, LIPC, HSD17B12 SMN1; SMN2 1461/4885CA1 566/4885CA9 2018/4885
US-20180098956-A1 THERAPEUTIC COMPOSITIONS CPT1B, IAPP, GYS1 SMN1; SMN2 168/4885CA1 423/4885CA9 2101/4885
US-20080287372-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment CPT1B, ACADM, ACAA2 SMN1; SMN2 504/4885CA1 60/4885CA9 520/4885
US-20070179197-A1 COMPOSITIONS AND METHODS FOR IMPROVING OR PRESERVING BRAIN FUNCTION CPT1B, ABHD6, LPL SMN1; SMN2 73/4885CA1 1461/4885CA9 1483/4885
US-20070135376-A1 METHOD TO REDUCE OXIDATIVE DAMAGE AND IMPROVE MITOCHONDRIAL EFFICIENCY GOT2, HADHB, HADHA SMN1; SMN2 1050/4885CA1 3373/4885CA9 3059/4885
US-20170196827-A1 Ketone Bodies To Protect Tissues From Damage By Ionizing Radiation ACACB, BCKDK, ACACA SMN1; SMN2 3404/4885CA1 1332/4885CA9 1183/4885
US-20080009467-A1 COMBINATIONS OF MEDIUM CHAIN TRIGLYCERIDES AND THERAPEUTIC AGENTS FOR THE TREATMENT AND PREVENTION OF ALZHEIMERS DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM ACHE, CHAT, BACE1 SMN1; SMN2 428/4885CA1 1152/4885CA9 3114/4885
US-20160030376-A1 Use of Genomic Testing and Ketogenic Compounds for Treatment of Reduced Cognitive Function BCKDK, HSD17B12, HSD17B10 SMN1; SMN2 1115/4885CA1 662/4885CA9 1345/4885
US-20180036274-A1 USE OF MEDIUM CHAIN TRIGLYCERIDES FOR THE TREATMENT AND PREVENTION OF ALZHEIMER'S DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM II PSEN2, MTTP, APP SMN1; SMN2 31/4885CA1 1283/4885CA9 4203/4885
US-20090253781-A1 Therapeutic compositions CPT1B, GYS1, IAPP SMN1; SMN2 190/4885CA1 420/4885CA9 2004/4885

“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.