SCHEMBL572756

SCHEMBL572756

O=C(OC(=O)C1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O)C1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 2/20 0.54
APEX1 P27695 1/20 0.54
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4665372 1.00 POLB (0.59) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL3777075 1.00 POLB (0.59) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL3787744 1.00 POLB (0.59) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL27495 1.00 POLB (0.59) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL721693 0.87 POLB (0.74) POLBALDH1A1SMN1; SMN2TDP1APEX1
Alanine SCHEMBL15656219 0.86 POLB (0.48) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL23287488 0.86 POLB (0.70) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL381246 0.86 POLB (0.70) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL713506 0.86 POLB (0.70) POLBALDH1A1SMN1; SMN2TDP1APEX1
SCHEMBL24062391 0.86 POLB (0.70) POLBALDH1A1SMN1; SMN2TDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399897-B1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND UNIV UTSUNOMIYA (JP) 2015-08-12 EP disclosed
US-8716501-B2 Method for producing oxygen-containing compound UTSUNOMIYA UNIVERSITY (JP) 2014-05-06 US disclosed
US-20130303497-A1 DEUTERATED 5-HT1A RECEPTOR AGONISTS CONRIG PHARMA APS (DK) 2013-11-14 US disclosed
EP-2601187-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS Conrig Pharma ApS (DK) 2013-06-12 EP disclosed
US-20120053354-A1 Method for Producing Oxygen-Containing Compound UTSUNOMIYA UNIVERSITY (JP) 2012-03-01 US disclosed
WO-2012016569-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS CONRIG PHARMA APS (DK) 2012-02-09 WO disclosed
EP-2399897-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Utsunomiya University (JP) 2011-12-28 EP 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-20130303497-A1 DEUTERATED 5-HT1A RECEPTOR AGONISTS HTR1A, HTR1D, HTR5A POLB 3260/4885ALDH1A1 620/4885SMN1; SMN2 1884/4885

“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.