SCHEMBL3020149

SCHEMBL3020149

C=CCN(CCCCN(CC=C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.49
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
DPP4 P27487 1/20 0.36
SSTR4 P31391 1/20 0.32
MAPT P10636 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
CTSK P43235 1/20 0.30
LSS P48449 1/20 0.30
LMNA P02545 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
SCHEMBL3024404 0.98 CA14 (0.48) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL8642294 0.92 CA14 (0.42) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL8642292 0.92 CA14 (0.42) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL4686524 0.92 CA14 (0.42) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL8088607 0.92 CA14 (0.42) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL17363381 0.92 CA14 (0.46) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL17363437 0.91 CA14 (0.43) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL25282321 0.90 CA14 (0.41) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL15942002 0.89 CA14 (0.42) CA14ALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL17363444 0.89 CA14 (0.40) CA14ALDH1A1L3MBTL1HDAC6HDAC1

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-20100189679-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2010-07-29 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-20100189679-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES SLC6A12, SLC20A1, SLC20A2 CA14 705/4885ALDH1A1 1359/4885L3MBTL1 2775/4885

“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.