SCHEMBL2811318

SCHEMBL2811318

CCN(CC)CC.Nc1ccc(C(=O)O)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.54
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
THRB P10828 3/20 0.54
HPGD P15428 3/20 0.54
GFER P55789 2/20 0.54
HTT P42858 1/20 0.54
PLEC Q15149 1/20 0.54
CDC25B P30305 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.45
PTGER4 P35408 1/20 0.44
HSD17B10 Q99714 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
RCE1 Q9Y256 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL27811875 0.86 KDM4E (0.51) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL4824967 0.84 CDC25B (0.61) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL77186 0.84 CDC25B (0.61) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL29351778 0.84 CDC25B (0.61) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL11624604 0.83 POLB (0.54) GAAKDM4EALDH1A1MAPTTHRB
Hydrochloric Acid SCHEMBL4653034 0.82 CDC25B (0.59) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL8648893 0.82 CDC25B (0.59) GAAKDM4EALDH1A1MAPTTHRB
Hydrochloric Acid SCHEMBL828086 0.82 CDC25B (0.59) GAAKDM4EALDH1A1MAPTTHRB
Water SCHEMBL2810848 0.82 CDC25B (0.59) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL2808434 0.82 CDC25B (0.59) GAAKDM4EALDH1A1MAPTTHRB

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B GAA 4079/4885KDM4E 3178/4885ALDH1A1 401/4885

“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.