SCHEMBL19929679

SCHEMBL19929679

CCCN(CCCO)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.53
CA12 O43570 4/20 0.39
CA1 P00915 3/20 0.39
CA7 P43166 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SSTR4 P31391 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CA9 Q16790 3/20 0.35
CA2 P00918 1/20 0.35
HDAC3 O15379 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MMP1 P03956 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
SCHEMBL14157489 0.93 CA14 (0.58) CA14CA12CA1CA7TDP1
SCHEMBL8285770 0.89 CA14 (0.51) CA14CA12CA1CA7SSTR4
SCHEMBL25797677 0.89 CA14 (0.59) CA14CA12CA1CA7TDP1
SCHEMBL1031568 0.89 CA14 (0.47) CA14CA12CA1CA7TDP1
SCHEMBL27252832 0.89 CA14 (0.55) CA14CA12CA1CA7TDP1
SCHEMBL2608081 0.89 CA14 (0.49) CA14CA12CA1CA7SSTR4
SCHEMBL19214063 0.88 CA14 (0.55) CA14CA12CA1CA7TDP1
SCHEMBL18599054 0.87 CA14 (0.54) CA14CA12CA1CA7HDAC1
SCHEMBL3551705 0.87 CA14 (0.50) CA14CA12CA1CA7TDP1
SCHEMBL13527824 0.86 CA14 (0.54) CA14CA12CA1TDP1SSTR4

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
EP-3489220-B1 LIPIDS FOR THERAPEUTIC AGENT DELIVERY FORMULATIONS NITTO DENKO CORP (JP) 2021-08-18 EP disclosed
US-20180066011-A1 METHOD FOR PREPARING SITE-SPECIFICALLY MODIFIED PROTEIN BASED ON NOVEL CARBON-CARBON BOND FORMATION PROMEDIGEN (KR) 2018-03-08 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-20180066011-A1 METHOD FOR PREPARING SITE-SPECIFICALLY MODIFIED PROTEIN BASED ON NOVEL CARBON-CARBON BOND FORMATION PTMS, CHAMP1, STUB1 CA14 2635/4885CA12 2292/4885CA1 1862/4885

“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.