SCHEMBL25829078

SCHEMBL25829078

CCCCCCCCN(C)C1CCC(CC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
DNM1 Q05193 3/20 0.41
SPHK1 Q9NYA1 1/20 0.34
LSS P48449 3/20 0.34
GBA1 P04062 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
EPHX1 P07099 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL23221024 0.98 ADH1C (0.43) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL1678954 0.90 ADH1C (0.53) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL11569526 0.90 ADH1C (0.53) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL11570725 0.90 ADH1C (0.53) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL23767402 0.88 ADH1C (0.50) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL1680185 0.88 ADH1C (0.50) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL24508728 0.85 ADH1C (0.42) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL17351084 0.84 DNM1 (0.48) ADH1CADH1AADH4DNM1GBA1
SCHEMBL27445828 0.82 ADH1C (0.47) ADH1CADH1AADH4DNM1SPHK1
SCHEMBL17351009 0.82 DNM1 (0.46) ADH1CADH1AADH4DNM1GBA1

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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADH1C 4321/4885ADH1A 4306/4885ADH4 3368/4885

“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.