SCHEMBL2631898

SCHEMBL2631898

CC(CO)[C@@H](O)C(O)C(O)C(O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TRPA1 O75762 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
SCHEMBL13414954 1.00 TDP1 (0.42) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL18271003 0.91 TDP1 (0.50) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL15889663 0.91 TDP1 (0.50) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL15314546 0.88
SCHEMBL14346962 0.87 TDP1 (0.53) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL23808063 0.82 TDP1 (0.42) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL13471599 0.82 TDP1 (0.42) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL10027479 0.82 TDP1 (0.42) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL19820226 0.82 TDP1 (0.42) TDP1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL13638114 0.82 TDP1 (0.42) TDP1TSHRLMNAL3MBTL1ALDH1A1

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-20120269912-A1 COMPOSITIONS AND METHODS OF TREATMENT THAT INCLUDE PLANT EXTRACTS ROBERTS STEPHEN CHARLES (US) 2012-10-25 US disclosed
US-20120100097-A1 CELLULOSE SUPPORT CONTAINING D-MANNOSE DERIVATIVES AHLSTROM CORPORATION (FI) 2012-04-26 US disclosed
US-20110201794-A1 Disaccharides for drug discovery ALCHEMIA LIMITED (AU) 2011-08-18 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 (3 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-20110201794-A1 Disaccharides for drug discovery UGCG, STT3A, DDOST TDP1 4095/4885TSHR 3510/4885LMNA 4500/4885
US-20120100097-A1 CELLULOSE SUPPORT CONTAINING D-MANNOSE DERIVATIVES ALG1, CHIT1, MAN2A1 TDP1 1055/4885TSHR 3945/4885LMNA 2082/4885
US-20120269912-A1 COMPOSITIONS AND METHODS OF TREATMENT THAT INCLUDE PLANT EXTRACTS RHEB, TNF, GPBAR1 TDP1 4146/4885TSHR 284/4885LMNA 4400/4885

“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.