SCHEMBL24914671

SCHEMBL24914671

CCCC[C@H](CC)[C@@H](C)C(C)=N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CA2 P00918 7/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 1/20 0.31
OPRM1 P35372 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
SCHEMBL25657080 0.79 ALDH1A1 (0.34) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL11809231 0.74 CA2 (0.54) CA2MAPK1CA1TDP1
SCHEMBL11817761 0.72 ALDH1A1 (0.46) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL3093612 0.72 ALDH1A1 (0.42) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL18664275 0.72 ALDH1A1 (0.42) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL28520590 0.72
SCHEMBL598482 0.71 ALDH1A1 (0.40) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL30299060 0.71 ALDH1A1 (0.40) ALDH1A1CA2MAPK1CA1TDP1
SCHEMBL11818913 0.70 ALDH1A1 (0.43) ALDH1A1CA2MAPK1CA1TDP1
Hydrochloric Acid SCHEMBL30528602 0.70 ALDH1A1 (0.41) ALDH1A1CA2MAPK1CA1TDP1

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-20230025356-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-26 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-20230025356-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, ITK, TEC ALDH1A1 4035/4885CA2 4533/4885MAPK1 3914/4885

“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.