SCHEMBL22373554

SCHEMBL22373554

O=C(CCO)OCCOC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 4/20 0.46
AKR1C3 P42330 1/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL22373591 0.93 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11985680 0.87 ALDH1A1 (0.62) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL1246046 0.86 L3MBTL1 (0.57) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL22373553 0.86 TSHR (0.62) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL22373631 0.81 THRB (0.51) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL14594371 0.81 TDP1 (0.67) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL28033391 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL22361800 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL22373608 0.80 TSHR (0.54) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11985705 0.80 ALDH1A1 (0.65) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270469-A1 ACTIVE-ENERGY-RAY-POLYMERIZABLE INITIATOR, ACTIVE-ENERGY-RAY-POLYMERIZABLE COMPOSITION, ACTIVE-ENERGY-RAY-POLYMERIZABLE INK, INK STORAGE CONTAINER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2020-08-27 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 (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-20200270469-A1 ACTIVE-ENERGY-RAY-POLYMERIZABLE INITIATOR, ACTIVE-ENERGY-RAY-POLYMERIZABLE COMPOSITION, ACTIVE-ENERGY-RAY-POLYMERIZABLE INK, INK STORAGE CONTAINER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS ILK, NAP1L4, ORC3 ALDH1A1 1527/4885L3MBTL1 51/4885CYP3A4 3270/4885

“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.