SCHEMBL9911941

SCHEMBL9911941

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL9911944 0.83 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL9911940 0.78 TDP1 (0.37) SMN1; SMN2TSHRGRNSORT1
SCHEMBL4144659 0.74 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHR
SCHEMBL13329286 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRGRNSORT1
SCHEMBL7372261 0.72 TSHR (0.37) TSHR
SCHEMBL9514833 0.72 TSHR (0.37) TSHR
SCHEMBL15847388 0.72 TSHR (0.37) TSHR
SCHEMBL14870828 0.71 ESRRB (0.41) ALDH1A1SMN1; SMN2TSHR
SCHEMBL26625811 0.71 ESRRB (0.41) ALDH1A1SMN1; SMN2TSHR
SCHEMBL13778536 0.71 ABCB1 (0.37) ALDH1A1SMN1; SMN2TSHR

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 ALDH1A1 1032/4885SMN1; SMN2 4522/4885TSHR 3244/4885
US-20130072428-A1 Methods and Compounds Regulating the Erythroid Response to Iron Deficiency HIF1AN, IDH2, IDH3B ALDH1A1 445/4885SMN1; SMN2 4453/4885TSHR 4057/4885

“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.