SCHEMBL6513259

SCHEMBL6513259

C[C@@]1(O)CC(F)(F)[C@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CES2 O00748 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SLC22A1 O15245 1/20 0.38
TSHR P16473 1/20 0.38
PPM1B O75688 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL6513262 1.00 ALDH1A1 (0.49) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL6304083 0.85 ALDH1A1 (0.45) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL6304079 0.85 ALDH1A1 (0.45) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL6306818 0.85 ALDH1A1 (0.45) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL9516043 0.80 ALDH1A1 (0.60) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL17838017 0.74 TDP1 (0.50) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL17837383 0.74 TDP1 (0.50) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL13983338 0.74 ALDH1A1 (0.57) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL22915747 0.74 ALDH1A1 (0.55) ALDH1A1CES2CHRNB2CHRNA5CHRNA7
SCHEMBL22915744 0.74 ALDH1A1 (0.55) ALDH1A1CES2CHRNB2CHRNA5CHRNA7

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-20050119286-A1 BETA-2'-OR 3'-HALONUCLEOSIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 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-20050119286-A1 BETA-2'-OR 3'-HALONUCLEOSIDES MKI67, EBP, PCNA ALDH1A1 2973/4885CES2 465/4885CHRNB2 1940/4885

“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.