SCHEMBL5081009

SCHEMBL5081009

CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR known ✓ P04035 1/20 0.36
CA4 P22748 3/20 0.50
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
TET2 Q6N021 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 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
SCHEMBL8504120 0.95 CA4 (0.56) CA4HMGCRCHRM1TBXA2RADRA1A
Lithium Ion SCHEMBL8506314 0.95 CA4 (0.50) CA4HMGCRCHRM1TBXA2RADRA1A
Zinc Ion SCHEMBL16546436 0.95 CA4 (0.50) CA4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6739148 0.95 CA4 (0.50) CA4HMGCRCHRM1TBXA2RADRA1A
Silver SCHEMBL6739147 0.95 CA4 (0.50) CA4HMGCRCHRM1TBXA2RADRA1A
Potassium Ion SCHEMBL8502230 0.95 CA4 (0.50) CA4HMGCRCHRM1TBXA2RADRA1A
Water SCHEMBL31011749 0.92 CA4 (0.48) CA4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8615649 0.90 CA4 (0.46) CA4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8615644 0.90 CA4 (0.46) CA4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8614166 0.80 CA1 (0.38) CA4FFAR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080160101-A1 Comprising antagonistic micro-organism and at least one salt and/or derivatives; biopesticide particularly useful against pathogens able to cause diseases to plant material BIONEXT (BE) 2008-07-03 US claimed
EP-1802196-A1 COMPOSITIONS FOR USE AGAINST ONE OR MORE PATHOGENS Bionext (BE) 2007-07-04 EP claimed
WO-2006032530-A1 COMPOSITIONS FOR USE AGAINST ONE OR MORE PATHOGENS BIONEXT (BE) 2006-03-30 WO claimed
CN-113234214-B Copolyester and preparation method thereof 中国科学院大连化学物理研究所 2022-02-15 CN disclosed
CN-113861396-A Copolyester and preparation method thereof 中国科学院大连化学物理研究所 2021-12-31 CN disclosed
CN-113234214-A Copolyester and preparation method thereof 中国科学院大连化学物理研究所 2021-08-10 CN disclosed
US-8828450-B2 Compositions for use against one or more pathogens BIONEXT (BE) 2014-09-09 US disclosed
CN-101031203-B Use of compositions for resisting against one or more pathogens BIONEXT 2011-05-11 CN disclosed
US-20080160101-A1 Comprising antagonistic micro-organism and at least one salt and/or derivatives; biopesticide particularly useful against pathogens able to cause diseases to plant material BIONEXT (BE) 2008-07-03 US disclosed
CN-101031203-A Compositions for use against one or more pathogens BIONEXT (BE) 2007-09-05 CN disclosed
EP-1802196-A1 COMPOSITIONS FOR USE AGAINST ONE OR MORE PATHOGENS Bionext (BE) 2007-07-04 EP disclosed
WO-2006032530-A1 COMPOSITIONS FOR USE AGAINST ONE OR MORE PATHOGENS BIONEXT (BE) 2006-03-30 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 (1 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-20080160101-A1 Comprising antagonistic micro-organism and at least one salt and/or derivatives; biopesticide particularly useful against pathogens able to cause diseases to plant material CHIT1, MAN2A1, MANBA HMGCR 2709/4885CA4 1917/4885CHRM1 2310/4885

“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.