SCHEMBL9911940

SCHEMBL9911940

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
TET2 Q6N021 3/20 0.35
TET3 O43151 1/20 0.35
TET1 Q8NFU7 1/20 0.35
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
TGFBR1 P36897 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 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
SCHEMBL9514386 0.89 TSHR (0.39) TDP1GRNSORT1TET2TET3
SCHEMBL11986243 0.82 TDP1 (0.59) TDP1TSHRSMN1; SMN2TP53
SCHEMBL13254368 0.82 TDP1 (0.40) TDP1TSHRSMN1; SMN2TP53GRIK1
SCHEMBL7412371 0.80 TDP1 (0.39) TDP1GRNSORT1TET2TET3
SCHEMBL9911941 0.78 ALDH1A1 (0.32) GRNSORT1TSHRSMN1; SMN2
SCHEMBL11606875 0.77 SLC1A3 (0.45) TDP1GRNSORT1TET2TET3
SCHEMBL9911944 0.76 ALDH1A1 (0.37) TSHR
SCHEMBL15847389 0.74 PGD (0.30)
SCHEMBL7415744 0.74 TDP1 (0.40) TDP1TET2TET3TET1GRIK1
SCHEMBL4144935 0.72 GRN (0.36) TDP1GRNSORT1TET2TET3

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 3 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

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-20120142590-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency MCL1, FECH, MPL TDP1 4776/4885GRN 4181/4885SORT1 4788/4885
US-20130072428-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency HIF1AN, IDH2, IDH3B TDP1 4822/4885GRN 4074/4885SORT1 4647/4885

“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.