SCHEMBL14281132

SCHEMBL14281132

CC(=O)O[C@@H]1C(OC(=O)c2ccccc2)C(O)OC(C)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.43
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
PTPN1 P18031 4/20 0.41
TSHR P16473 3/20 0.41
SLC43A1 O75387 1/20 0.40
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13714166 0.94 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL18296432 0.94 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL6221505 0.94 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL6857875 0.94 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL12653015 0.94 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL18148952 0.94 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL19591662 0.94 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL30185438 0.93 LGALS9 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL19646640 0.85 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL17682036 0.85 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1

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-20080008709-A1 Conjugation of biomolecules using Diels-Alder cycloaddition The Government of the U.S. as represented by the Secretary of the Dept. of Health and Human 2008-01-10 US disclosed
US-7211445-B2 Immunology, diagnosis, therapy; complex of carbohydrate and protein; immobilization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-05-01 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-20080008709-A1 Conjugation of biomolecules using Diels-Alder cycloaddition DERA, DCLRE1A, CD2BP2 ABCB1 4291/4885LGALS9 2034/4885LGALS1 812/4885

“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.