SCHEMBL22808741

SCHEMBL22808741

CC(O)C(O)C(O)C(=O)CNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
AGTR1 P30556 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
PKM P14618 1/20 0.41
AKR1C3 P42330 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
SCHEMBL8351920 0.80 GAA (0.48) GAAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL14280871 0.77 PKM (0.44) GAAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL10955536 0.73 ALDH1A1 (0.40) GAAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL24137901 0.70 LMNA (0.51) GAAALDH1A1RAB9AHPGDHDAC3
SCHEMBL7175504 0.70 PKM (0.54) GAAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5852846 0.70 MAPT (0.46) GAAALDH1A1NPC1AGTR1HDAC1
SCHEMBL28373892 0.70 MAPT (0.46) GAAALDH1A1NPC1AGTR1HDAC1
SCHEMBL41828 0.69 ABAT (0.53) GAAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL7785939 0.69 ABAT (0.53) GAAALDH1A1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3069393 0.69 ABAT (0.53) GAAALDH1A1RAB9ASMN1; SMN2HPGD

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-10871496-B2 Composite compound comprising upconverting nanoparticle and specific receptor GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-12-22 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-10871496-B2 Composite compound comprising upconverting nanoparticle and specific receptor INSR, GPR119, HBG1 GAA 747/4885ALDH1A1 1493/4885RAB9A 1470/4885

“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.