SCHEMBL20089028

SCHEMBL20089028

C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NCC1CC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
ADORA2A P29274 1/20 0.32
HPGD P15428 1/20 0.31
SIRT5 Q9NXA8 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
THRB P10828 1/20 0.30
IL1B P01584 1/20 0.30
P2RX7 Q99572 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
SCHEMBL19010223 0.86 TSHR (0.39) ALDH1A1TP53CYP3A4HIF1AEPHX2
SCHEMBL19847495 0.86 TSHR (0.39) ALDH1A1TP53CYP3A4HIF1AEPHX2
SCHEMBL16380407 0.84 TSHR (0.44) ALDH1A1TP53CYP3A4HIF1AEPHX2
SCHEMBL19010229 0.83 TSHR (0.46) ALDH1A1TP53CYP3A4HIF1AEPHX2
SCHEMBL20094920 0.82 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL20089024 0.81 TSHR (0.35) ALDH1A1EPHX2MEN1NPC1RAB9A
SCHEMBL13714826 0.80 EPHX2 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19847447 0.80 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19010225 0.79 TSHR (0.42) ALDH1A1EPHX2MEN1NPC1RAB9A
SCHEMBL21657648 0.78 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 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-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT ALDH1A1 1173/4885TP53 2612/4885CYP3A4 2413/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 ALDH1A1 394/4885TP53 3656/4885CYP3A4 3277/4885

“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.