SCHEMBL13301622

SCHEMBL13301622

CN(C)C(=O)COP(C)(=O)OCC(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL28234432 0.81 TPI1 (0.46) MVDSMN1; SMN2ALDH1A1
SCHEMBL27566176 0.77 TSHR (0.56) MVDSMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL20175276 0.71 SMN1; SMN2 (0.33) MVDSMN1; SMN2ALDH1A1
SCHEMBL1258611 0.71 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ECYP1A2L3MBTL1
SCHEMBL13301621 0.70 TPI1 (0.33) ALDH1A1KDM4ECYP1A2GLAHPGD
SCHEMBL49014 0.69
SCHEMBL20175277 0.69 CHRNB2 (0.32) MVDSMN1; SMN2
SCHEMBL11519577 0.68 TSHR (0.43) ALDH1A1KDM4ETSHRGAA
SCHEMBL18052649 0.68 TSHR (0.39) ALDH1A1TSHRACHEGAA
SCHEMBL10013985 0.67 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4ECYP1A2L3MBTL1

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-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF CIS BIO INTERNATIONAL (FR) 2010-06-10 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-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF C9, CBR3, C3AR1 MVD 3851/4885SMN1; SMN2 4093/4885ALDH1A1 3628/4885

“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.