SCHEMBL9911939

SCHEMBL9911939

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.42
GABRR1 P24046 2/20 0.41
LMNA P02545 1/20 0.41
FOLH1 Q04609 2/20 0.33
MAPT P10636 1/20 0.32
HDAC2 Q92769 1/20 0.31
CPT2 P23786 1/20 0.31
ACLY P53396 1/20 0.31
TET2 Q6N021 3/20 0.31
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
TET3 O43151 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 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
Formic Acid SCHEMBL20836208 0.77 TDP1 (0.78) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL9213672 0.76 TDP1 (0.59) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL22151 0.76 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL165643 0.76 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL17517216 0.76 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL16925719 0.76 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL9478562 0.75 SLC22A6 (0.46) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL8389178 0.74 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6FOLH1CACNA2D1
SCHEMBL705775 0.74 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL27510549 0.74 TDP1 (0.72) TDP1SMN1; SMN2SLC22A6GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952061-B2 Methods and compounds regulating the erythroid response to iron deficiency UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-02-10 US disclosed
US-20130072428-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-03-21 US disclosed
US-20120142590-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-06-07 US disclosed
US-20100184643-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-07-22 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 (3 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-20120142590-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency MCL1, FECH, MPL TDP1 4776/4885SMN1; SMN2 4522/4885SLC22A6 2599/4885
US-20130072428-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency HIF1AN, IDH2, IDH3B TDP1 4822/4885SMN1; SMN2 4453/4885SLC22A6 1966/4885
US-20100184643-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency EPOR, MPL, MCL1 TDP1 4797/4885SMN1; SMN2 4488/4885SLC22A6 2478/4885

“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.