SCHEMBL3241659

SCHEMBL3241659

CCCCOCC1(CO)COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ASGR1 P07306 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PRKCA P17252 3/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
EPHX1 P07099 1/20 0.31
CES2 O00748 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
SCHEMBL20439229 0.86 SMN1; SMN2 (0.35) TSHRASGR1SMN1; SMN2
SCHEMBL14822523 0.85 TSHR (0.41) TSHRSMN1; SMN2PRKCAMEN1THRB
SCHEMBL11414909 0.84 TSHR (0.42) TSHRASGR1SMN1; SMN2PRKCAMEN1
SCHEMBL9218290 0.82 EPHX1 (0.35) EPHX1
SCHEMBL15129822 0.78 HTT (0.44) TSHRASGR1PRKCAMEN1THRB
SCHEMBL8308487 0.78 HTT (0.44) TSHRASGR1PRKCAMEN1THRB
SCHEMBL9619348 0.77 EPHX1 (0.37) PRKCAEPHX1
SCHEMBL11327246 0.76 SMN1; SMN2 (0.41) TSHRASGR1SMN1; SMN2MEN1THRB
SCHEMBL16298823 0.76 ASGR1 (0.31) ASGR1
SCHEMBL21235521 0.75 EPHX1 (0.32) EPHX1

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-8097593-B1 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2012-01-17 US disclosed
US-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC. (US) 2012-01-05 US disclosed
US-7820627-B2 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2010-10-26 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-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS SELPLG, STT3A, LY96 TSHR 628/4885ASGR1 15/4885SMN1; SMN2 4682/4885

“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.