SCHEMBL23219976

SCHEMBL23219976

COC(=O)N1CCCCCCC(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 4/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15139546 0.93 GAA (0.47) ALDH1A1GAATHRBATML3MBTL1
SCHEMBL771850 0.89 GAA (0.53) ALDH1A1GAAPOLBHPGDEPHX1
Hydrochloric Acid SCHEMBL12494569 0.87 GAA (0.51) ALDH1A1GAAPOLBHPGDEPHX1
SCHEMBL16512381 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2
SCHEMBL3316653 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2
SCHEMBL14827284 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2
SCHEMBL12481132 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2
SCHEMBL9987783 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2
SCHEMBL304391 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2
Methyl Alcohol SCHEMBL11559156 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2

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-10975100-B2 Fused bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 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-10975100-B2 Fused bicyclic inhibitors of menin-MLL interaction MLLT1, BMI1, MEN1 ALDH1A1 3997/4885GAA 4461/4885THRB 1763/4885

“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.