SCHEMBL10085151

SCHEMBL10085151

NCC1(COCC2(CN)COC(c3ccccc3)OC2)COC(c2ccccc2)OC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNA4 P22459 1/20 0.42
KCNA1 Q09470 1/20 0.42
KCNAB1 Q14722 1/20 0.42
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2C P28335 5/20 0.33
HTR2B P41595 5/20 0.33
HTR2A P28223 3/20 0.33
MAOB P27338 2/20 0.33
SOAT1 P35610 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL10509260 0.88 MEN1 (0.62) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL10085150 0.84 MEN1 (0.53) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL10630547 0.82 MEN1 (0.55) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL19890120 0.77 MEN1 (0.49) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL19890107 0.77 MEN1 (0.49) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL20906046 0.77 MEN1 (0.49) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL16298824 0.77 MEN1 (0.45) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL24525320 0.77 MEN1 (0.56) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL10086310 0.76 MEN1 (0.44) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL16115135 0.76 CYP2C19 (0.44) MEN1CYP2C19KMT2AKCNA4KCNA1

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 MEN1 4478/4885CYP2C19 4761/4885KMT2A 1000/4885

“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.