SCHEMBL22242591

SCHEMBL22242591

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38
CPB2 Q96IY4 1/20 0.38
GABRR1 P24046 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MME P08473 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
SCHEMBL2177182 0.86 FOLH1 (0.41) FOLH1SLC22A6TDP1SMN1; SMN2CPA1
SCHEMBL9668057 0.84 MMP2 (0.40) FOLH1SLC22A6TDP1SMN1; SMN2TSHR
SCHEMBL16115234 0.80 MME (0.49) FOLH1SLC22A6CPA1MME
SCHEMBL16115238 0.78 MME (0.47) FOLH1SLC22A6CPA1MME
SCHEMBL8522829 0.77 FOLH1 (0.43) FOLH1SLC22A6TDP1SMN1; SMN2CPA1
SCHEMBL31040679 0.73 GPR84 (0.58) MAPT
Tricarballylic Acid SCHEMBL1821947 0.73 FOLH1 (0.65) FOLH1SLC22A6TDP1SMN1; SMN2CPA1
Tricarballylic Acid SCHEMBL34866 0.73 FOLH1 (0.65) FOLH1SLC22A6TDP1SMN1; SMN2CPA1
SCHEMBL8417005 0.73 SMN1; SMN2 (0.60) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL8416906 0.73 SMN1; SMN2 (0.60) SLC22A6TDP1SMN1; SMN2GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231527-A1 SYNTHESIS OF ORGANIC ACIDS FROM ALPHA-KETO ACIDS FURMAN UNIVERSITY 2020-07-23 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 (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-20200231527-A1 SYNTHESIS OF ORGANIC ACIDS FROM ALPHA-KETO ACIDS HOGA1, BCKDK, PCCA FOLH1 3097/4885SLC22A6 1831/4885TDP1 4212/4885

“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.