SCHEMBL16865357

SCHEMBL16865357

CCOC(=O)[C@H]([C@@H](O)/C=C/c1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.43
ADORA3 P0DMS8 4/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
XBP1 P17861 1/20 0.40
MMP13 P45452 1/20 0.37
GLA P06280 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NFKB1 P19838 1/20 0.35

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
SCHEMBL16865358 1.00 CTDSP1 (0.43) CTDSP1ADORA3ALDH1A1L3MBTL1MEN1
SCHEMBL16865359 0.91 CTDSP1 (0.35) CTDSP1ADORA3ALDH1A1L3MBTL1MEN1
SCHEMBL17080643 0.91 CTDSP1 (0.35) CTDSP1ADORA3ALDH1A1L3MBTL1MEN1
SCHEMBL16865338 0.91 CTDSP1 (0.35) CTDSP1ADORA3ALDH1A1L3MBTL1MEN1
SCHEMBL16865337 0.89 MAPT (0.37) CTDSP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL16865363 0.89 MAPT (0.37) CTDSP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL16865342 0.89 MAPT (0.37) CTDSP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL16865361 0.85 PTGS2 (0.40) ADORA3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL17072206 0.75 AKT1 (0.35) CTDSP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL17072207 0.75 AKT1 (0.35) CTDSP1ALDH1A1KDM4EHPGDMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN CTDSP1 1993/4885ADORA3 1054/4885ALDH1A1 506/4885

“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.