SCHEMBL24985296

SCHEMBL24985296

CCCN(CCC)c1c(CC)cccc1CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
ESR1 P03372 2/20 0.42
NR1I2 O75469 1/20 0.41
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.37
CRHR1 P34998 4/20 0.37
ELANE P08246 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL18590933 0.89 ELANE (0.40) GABRA1GABRB2ESR1NR1I2TP53
SCHEMBL18289166 0.84 ELANE (0.35) GABRA1GABRB2ESR1NR1I2TP53
SCHEMBL18289179 0.84 ELANE (0.35) GABRA1GABRB2ESR1NR1I2TP53
SCHEMBL11140943 0.83 TDP1 (0.46) GABRA1GABRB2ESR1NR1I2TP53
SCHEMBL18289117 0.83 ELANE (0.35) GABRA1GABRB2ESR1NR1I2TP53
SCHEMBL10399130 0.81 GABRA1 (0.48) GABRA1GABRB2NR1I2TP53MEN1
SCHEMBL30338128 0.81 NR1I2 (0.60) GABRA1GABRB2ESR1NR1I2TP53
SCHEMBL20202898 0.80 CRHR1 (0.34) GABRA1GABRB2ESR1NR1I2MEN1
SCHEMBL18289141 0.80 GABRA1 (0.43) GABRA1GABRB2ESR1NR1I2TP53
SCHEMBL18289153 0.79 ALDH1A1 (0.37) ESR1TP53MEN1KMT2ATDP1

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-20230019844-A1 LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-19 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-20230019844-A1 LIGHT EMITTING DEVICE USE1, SLC18A1, TMEM109 GABRA1 2945/4885GABRB2 3164/4885ESR1 15/4885

“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.