SCHEMBL2422807

SCHEMBL2422807

O=C(O)CC(O)(CC(=O)O)C(O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.46
CPT2 P23786 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL26056411 0.82 ACLY (0.46) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL4442944 0.76 SLC22A6 (0.43) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL11507546 0.74 ALDH1A1 (0.43) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL10940349 0.74 HMGCR (0.50) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL11111132 0.74 ACLY (0.40) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL5793304 0.74 ACLY (0.45) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL10520915 0.72 TDP1 (0.43) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL10779877 0.71 PGD (0.39) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL19383705 0.69 HMGCR (0.44) ACLYCPT2ALDH1A1HMGCRCHRM1
SCHEMBL6338152 0.69 HMGCR (0.44) ACLYCPT2ALDH1A1HMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225663-A1 LIPID DELIVERY FORMULATIONS DICERNA PHARMACEUTICALS, INC. (US) 2013-08-29 US claimed
WO-2011109294-A1 LIPID DELIVERY FORMULATIONS DICERNA PHARMACEUTICALS, INC. (US) 2011-09-09 WO claimed
US-20170129853-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-05-11 US disclosed
US-9580385-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-02-28 US disclosed
US-9320798-B2 Lipid delivery formulations DICERNA PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20130225663-A1 LIPID DELIVERY FORMULATIONS DICERNA PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
WO-2011109294-A1 LIPID DELIVERY FORMULATIONS DICERNA PHARMACEUTICALS, INC. (US) 2011-09-09 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-20170129853-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 ACLY 2542/4885CPT2 3384/4885ALDH1A1 4270/4885
US-20130225663-A1 LIPID DELIVERY FORMULATIONS LIPA, LIPC, CETP ACLY 1490/4885CPT2 210/4885ALDH1A1 3881/4885

“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.