SCHEMBL18094366

SCHEMBL18094366

O=C(OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.60
LGALS1 P09382 1/20 0.60
LGALS3 P17931 1/20 0.60
LGALS7; LGALS7B P47929 1/20 0.60
MAOB P27338 1/20 0.60
SYNJ2 O15056 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ABL1 P00519 1/20 0.51
ALPL P05186 1/20 0.51
POLB P06746 1/20 0.51
ALPI P09923 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALPG P10696 1/20 0.51
PABPC1 P11940 1/20 0.51
RECQL P46063 1/20 0.51
GALK1 P51570 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL10524702 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL27486746 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL9009737 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL28090704 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL27777164 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL9451232 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL8762538 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL28140168 1.00 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
Hydrochloric Acid SCHEMBL28255486 0.99 MAOB (0.59) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6570199 0.98 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2016-09-29 US claimed
CN-100402546-C Steroid compounds with anti-tumor activity UNIBIOSCREEN SA (BE) 2008-07-16 CN disclosed
CN-1745090-A Steroid compounds with anti-tumor activity UNIBIOSCREEN SA (BE) 2006-03-08 CN 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-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS SIRT3, NNT, SIRT1 LGALS9 633/4885LGALS1 475/4885LGALS3 249/4885

“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.