SCHEMBL2382852

SCHEMBL2382852

[CH]C(O)CCC(O)CCC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NFKB1 P19838 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
SCHEMBL1328891 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL15855762 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL30575792 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL29232764 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL28568549 0.85 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
SCHEMBL5370957 0.82
SCHEMBL22249 0.82
Hydrochloric Acid SCHEMBL9798772 0.78 FDPS (0.43) FDPSLMNATSHRFFAR4FFAR1
Phosphine SCHEMBL27893484 0.78
SCHEMBL28222123 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086318-A2 NEUROPROTECTIVE COMPOSITIONS AND METHODS Burnham Institute for Medical Research (US) 2009-08-12 EP claimed
US-20090042980-A1 Neuroprotective compositions and methods BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-12 US claimed
WO-2008108825-A2 NEUROPROTECTIVE COMPOSITIONS AND METHODS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-09-12 WO claimed
US-8466311-B2 Neuroprotective compositions and methods SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-06-18 US disclosed
US-20120296112-A1 Neuroprotective Compositions and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US disclosed
US-8022246-B2 Neuroprotective compositions and methods THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-09-20 US disclosed
EP-2086318-A2 NEUROPROTECTIVE COMPOSITIONS AND METHODS Burnham Institute for Medical Research (US) 2009-08-12 EP disclosed
US-20090042980-A1 Neuroprotective compositions and methods BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-12 US disclosed
WO-2008108825-A2 NEUROPROTECTIVE COMPOSITIONS AND METHODS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-09-12 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 (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-20090042980-A1 Neuroprotective compositions and methods KEAP1, NFE2L2, NQO1 FDPS 1051/4885LMNA 386/4885TSHR 4756/4885
US-20120296112-A1 Neuroprotective Compositions and Methods KEAP1, NFE2L2, NQO1 FDPS 1051/4885LMNA 386/4885TSHR 4756/4885

“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.