SCHEMBL1603050

SCHEMBL1603050

O=C(O)/C=C/C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
TP53 P04637 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.50
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HCAR2 Q8TDS4 3/20 0.35
CA1 P00915 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 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
SCHEMBL1603051 1.00 TSHR (0.50) TSHRTP53EGLN1EGLN3CA12
SCHEMBL28904990 0.75 TSHR (0.75) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL28169695 0.72 TSHR (0.41) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL1589 0.72
SCHEMBL1588 0.72
SCHEMBL1533836 0.72
Fumaric Acid SCHEMBL4142780 0.71 TSHR (0.82) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL2351119 0.71 TSHR (0.82) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL2351110 0.71 TSHR (0.82) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL615 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS GFBIOCHEMICALS LIMITED (MT) 2015-10-15 US disclosed
US-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2014-05-15 US disclosed
US-8653223-B2 Transketalized compositions, synthesis, and applications SEGETIS, INC. (US) 2014-02-18 US disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
WO-2009146202-A2 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-12-03 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 (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-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 TSHR 4819/4885TP53 4513/4885EGLN1 2059/4885
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 TSHR 4819/4885TP53 4513/4885EGLN1 2059/4885
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 TSHR 4819/4885TP53 4513/4885EGLN1 2059/4885

“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.