SCHEMBL17501989

SCHEMBL17501989

CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
TSHR P16473 1/20 0.59
CYP2D6 P10635 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.53
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA2 P00918 3/20 0.50
NT5E P21589 1/20 0.48
PAX8 Q06710 1/20 0.47
PRKCA P17252 1/20 0.47
AKT1 P31749 1/20 0.47
PTK2 Q05397 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47

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
SCHEMBL17501957 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL19976407 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL17501959 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL17502054 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL24086068 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL971366 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL7572133 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL8221876 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL970376 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL17502040 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed
US-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
US-20160038615-A1 SACCHARIDE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 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 (2 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-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES FUT5, FUT6, B3GNT2 LMNA 1508/4885TSHR 2162/4885CYP2D6 295/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 LMNA 2242/4885TSHR 3086/4885CYP2D6 4518/4885

“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.