SCHEMBL4567207

SCHEMBL4567207

C[C@H](CCOC(=O)C[C@@H](C)O)OC(=O)C[C@@H](C)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
PRKCA P17252 1/20 0.35
FAAH O00519 4/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20299549 1.00 CYP19A1 (0.36) CYP19A1PRKCAFAAHCNR1CNR2
SCHEMBL4567206 0.89 CYP19A1 (0.34) CYP19A1PRKCAMMP1MMP2MMP3
SCHEMBL26517483 0.88 MGAM (0.35) CYP19A1FAAHCNR1CNR2
SCHEMBL26517478 0.88 MGAM (0.35) CYP19A1FAAHCNR1CNR2
SCHEMBL25626538 0.86
SCHEMBL25465036 0.85 CYP19A1 (0.36) CYP19A1PRKCAMMP1MMP2MMP3
SCHEMBL22205224 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4
SCHEMBL22205226 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4
SCHEMBL21974553 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4
SCHEMBL16053327 0.84 CYP19A1 (0.40) CYP19A1ADRA2AADRA1ACHRNB2CHRNA4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181512-A1 METHODS FOR THE TREATMENT OF INFANTILE SPASMS USING MEDIUM CHAIN TRIGLYCERIDES Cerecin Inc. (US) 2023-06-15 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-20140256808-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment ACCERA, INC. (US) 2014-09-11 US disclosed
US-8748400-B2 Use of ketogenic compounds for treatment of age-associated memory impairment ACCERA, INC. (US) 2014-06-10 US disclosed
US-20120122978-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment ACCERA, INC. (US) 2012-05-17 US disclosed
US-8124589-B2 Use of ketogenic compounds for treatment of age-associated memory impairment ACCERA, INC. (US) 2012-02-28 US disclosed
US-20110243885-A1 Use of Genomic Testing and Ketogenic Compounds for Treatment of Reduced Cognitive Function ACCERA, INC. (US) 2011-10-06 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20110243885-A1 Use of Genomic Testing and Ketogenic Compounds for Treatment of Reduced Cognitive Function BCKDK, HSD17B12, HSD17B10 CYP19A1 652/4885PRKCA 491/4885FAAH 827/4885
US-20080287372-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment CPT1B, ACADM, ACAA2 CYP19A1 2006/4885PRKCA 859/4885FAAH 455/4885
US-20140256808-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment CPT1B, ACADM, ACAA2 CYP19A1 2006/4885PRKCA 859/4885FAAH 455/4885
US-20230181512-A1 METHODS FOR THE TREATMENT OF INFANTILE SPASMS USING MEDIUM CHAIN TRIGLYCERIDES CPT1B, NEFM, MTTP CYP19A1 1882/4885PRKCA 382/4885FAAH 1242/4885
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 CYP19A1 2201/4885PRKCA 1733/4885FAAH 251/4885
US-20160030376-A1 Use of Genomic Testing and Ketogenic Compounds for Treatment of Reduced Cognitive Function BCKDK, HSD17B12, HSD17B10 CYP19A1 652/4885PRKCA 491/4885FAAH 827/4885
US-20120122978-A1 Use of Ketogenic Compounds for Treatment of Age-Associated Memory Impairment CPT1B, ACADM, ACAA2 CYP19A1 2006/4885PRKCA 859/4885FAAH 455/4885

“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.