SCHEMBL23916698

SCHEMBL23916698

CC(C)(C)OCc1ccc(N2CCOCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
RXRA P19793 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL16260486 0.81 POLB (0.48) POLBRXRAGRIN1GRIN2BMAPT
SCHEMBL19220760 0.79 RAB9A (0.47) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL807518 0.79 POLB (0.51) POLBMAPTALDH1A1MEN1HTT
SCHEMBL18929856 0.77 POLB (0.49) POLBMAPTALDH1A1MEN1HTT
SCHEMBL8194202 0.76 POLB (0.51) POLBMAPTALDH1A1MEN1HTT
SCHEMBL3650490 0.76 POLB (0.51) POLBMAPTALDH1A1MEN1HTT
SCHEMBL3648179 0.74 ALDH1A1 (0.49) MAPTALDH1A1HTTKDM4EHSD17B10
SCHEMBL18115210 0.74 POLB (0.49) POLBMAPTALDH1A1MEN1HTT
SCHEMBL14008911 0.73 POLB (0.55) POLBMAPTALDH1A1MEN1HTT
SCHEMBL3644839 0.72 KMT2A (0.50) POLBMAPTALDH1A1MEN1HTT

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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS POLB 3747/4885RXRA 1846/4885GRIN1 3151/4885

“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.