SCHEMBL15716643

SCHEMBL15716643

O=C(O)COc1ccc(C(=O)O)n(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
PTGDR2 Q9Y5Y4 9/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL17972755 0.71 L3MBTL1 (0.50) TDP1POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL8231979 0.69 HDAC4 (0.44) TDP1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL1231048 0.66 L3MBTL1 (0.44) TDP1POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL29682135 0.65 L3MBTL1 (0.80) TDP1POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL340762 0.65 L3MBTL1 (0.80) TDP1POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL13616955 0.64 PTGDR2 (0.54) TDP1POLBSMN1; SMN2GLAL3MBTL1
Ammonia Solution, Strong SCHEMBL28240461 0.64 L3MBTL1 (0.77) TDP1POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL8528987 0.62 PTGDR2 (0.55) TDP1L3MBTL1PKMPTGDR2MAPT
SCHEMBL14060872 0.62 L3MBTL1 (0.47) TDP1POLBSMN1; SMN2GLAL3MBTL1
SCHEMBL3044855 0.62 PTGDR2 (0.79) TDP1POLBGLAL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453652-B2 Di-macrocycles LUMIPHORE, INC. (US) 2022-09-27 US disclosed
EP-2920157-B1 DI-MACROCYCLES LUMIPHORE INC (US) 2019-09-11 EP disclosed
EP-2920157-B1 DI-MACROCYCLES LUMIPHORE INC (US) 2019-09-11 EP disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
EP-2920157-A1 DI-MACROCYCLES Lumiphore, Inc. (US) 2015-09-23 EP disclosed
WO-2014078690-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2014-05-22 WO disclosed
WO-2014078690-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2014-05-22 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 (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-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 TDP1 2908/4885POLB 1220/4885SMN1; SMN2 3304/4885
US-11453652-B2 Di-macrocycles DLD, NDC1, MCL1 TDP1 2908/4885POLB 1220/4885SMN1; SMN2 3304/4885

“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.