SCHEMBL4563387

SCHEMBL4563387

C=CC(N)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.64
CCNB1 P14635 1/20 0.64
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
LDHA P00338 1/20 0.40
EPHX2 P34913 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 1/20 0.34
GAA P10253 1/20 0.30
TYR P14679 1/20 0.30
MAPT P10636 1/20 0.30
SYNJ2 O15056 1/20 0.30
SLC6A2 P23975 1/20 0.30
ACHE P22303 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
Sucrose SCHEMBL278329 0.89 CDK1 (0.63) CDK1CCNB1CA2CA9LDHA
SCHEMBL278330 0.87 CDK1 (0.54) CDK1CCNB1CA2CA9LDHA
SCHEMBL27835776 0.84 CDK1 (0.66) CDK1CCNB1CA2CA9LDHA
SCHEMBL26185797 0.84 CDK1 (0.69) CDK1CCNB1CA2CA9LDHA
SCHEMBL8994672 0.83 CDK1 (0.67) CDK1CCNB1CA2CA9LDHA
SCHEMBL27667174 0.83 CDK1 (0.70) CDK1CCNB1CA2CA9LDHA
SCHEMBL6666213 0.83 CDK1 (0.70) CDK1CCNB1CA2CA9LDHA
SCHEMBL20746468 0.82 CDK1 (0.66) CDK1CCNB1CA2CA9LDHA
SCHEMBL17165136 0.82 CDK1 (0.69) CDK1CCNB1CA2CA9LDHA
Sucrose SCHEMBL19668079 0.81 CDK1 (0.71) CDK1CCNB1CA2CA9LDHA

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-20190269780-A1 INTRANASAL EPINEPHRINE FORMULATIONS AND METHODS FOR THE TREATMENT OF DISEASE ARS PHARMACEUTICALS INC. 2019-09-05 US disclosed
US-8349353-B2 Controlled release cytotoxic agent compositions and methods for the treatment of otic disorders OTONOMY, INC. (US) 2013-01-08 US disclosed
US-20090324552-A1 CONTROLLED RELEASE CYTOTOXIC AGENT COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2009-12-31 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 (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-20190269780-A1 INTRANASAL EPINEPHRINE FORMULATIONS AND METHODS FOR THE TREATMENT OF DISEASE ADRA2C, ADRA2A, ADRB2 CDK1 4857/4885CCNB1 4816/4885CA2 4062/4885
US-20090324552-A1 CONTROLLED RELEASE CYTOTOXIC AGENT COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTC, SLC47A2, SLC26A4 CDK1 2000/4885CCNB1 1177/4885CA2 131/4885

“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.