SCHEMBL9604672

SCHEMBL9604672

CC1OC[C@H]2OC[C@H](O)[C@H]2O1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRM1 P11229 4/20 0.35
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18596480 0.88 THRB (0.36) THRBLMNACHRM2CHRM5CHRM1
SCHEMBL22334802 0.78 CHRM2 (0.33) THRBLMNACHRM2CHRM5CHRM1
SCHEMBL13561266 0.78 CHRM2 (0.33) THRBLMNACHRM2CHRM5CHRM1
SCHEMBL18802700 0.77 THRB (0.42) THRBLMNACHRM2CHRM5CHRM1
SCHEMBL22837183 0.77 THRB (0.42) THRBLMNACHRM2CHRM5CHRM1
SCHEMBL29957418 0.76 CHRM2 (0.36) LMNACHRM2CHRM5CHRM1TSHR
SCHEMBL8283547 0.74 THRB (0.44) THRBLMNA
SCHEMBL23261024 0.72 CHRM2 (0.34) CHRM2CHRM5CHRM1TSHRMAPK1
SCHEMBL23261025 0.72 CHRM2 (0.34) CHRM2CHRM5CHRM1TSHRMAPK1
SCHEMBL25141269 0.72 CHRM5 (0.33) CHRM2CHRM5CHRM1TSHRMAPK1

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-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-05-31 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-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 THRB 4404/4885LMNA 4298/4885CHRM2 3468/4885

“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.