SCHEMBL5012212

SCHEMBL5012212

O=C[C@H](OC(=O)c1ccccc1O)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 5/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 6/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL6938579 1.00 TDP1 (0.41) TDP1LMNATSHRHPGDHSD17B10
Acetone SCHEMBL2176182 0.96 LMNA (0.41) TDP1LMNATSHRHPGDHSD17B10
SCHEMBL23567079 0.86 ALDH1A1 (0.41) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL5035198 0.85 TSHR (0.39) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL6057627 0.82 HPGD (0.43) TDP1LMNATSHRHPGDHSD17B10
SCHEMBL5963748 0.82 TDP1 (0.43) TDP1LMNATSHRHPGDHSD17B10
SCHEMBL10873868 0.82 NPC1 (0.31) NPC1RAB9ACA12CA1CA2
SCHEMBL16271188 0.82 TSHR (0.47) TDP1LMNATSHRNPC1RAB9A
SCHEMBL21798546 0.82 TSHR (0.47) TDP1LMNATSHRNPC1RAB9A
SCHEMBL2355030 0.82 TSHR (0.47) TDP1LMNATSHRNPC1RAB9A

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-7348453-B2 Labile linkage for compound delivery to a cell MIRUS BIO CORPORATION (US) 2008-03-25 US disclosed
US-20050054604-A1 Labile linkage for compound delivery to a cell ROCHE MADISON INC. 2005-03-10 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-20050054604-A1 Labile linkage for compound delivery to a cell AADAC, PAICS, FURIN TDP1 3103/4885LMNA 1044/4885TSHR 4180/4885

“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.