SCHEMBL31368068

SCHEMBL31368068

COC(=O)C1CCC(OC2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL17802837 0.88 TP53 (0.47) TP53GAASMN1; SMN2PPM1BPTPN1
SCHEMBL74560 0.84 TP53 (0.47) TP53GAASMN1; SMN2PPM1BPTPN1
SCHEMBL17869504 0.82 MAPT (0.45) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL17802873 0.81 TP53 (0.46) TP53GAASMN1; SMN2PPM1BPTPN1
SCHEMBL2338910 0.79 TSHR (0.42) KAT2BBAZ2B
SCHEMBL21997052 0.78 CHRNB2 (0.43) TP53GAASMN1; SMN2ALDH1A1CHRNB2
SCHEMBL22849320 0.78 CHRNB2 (0.43) TP53GAASMN1; SMN2ALDH1A1CHRNB2
SCHEMBL244740 0.77
SCHEMBL2948892 0.77 TP53 (0.56) TP53GAASMN1; SMN2PPM1BPTPN1
SCHEMBL2200767 0.77 TP53 (0.56) TP53GAASMN1; SMN2PPM1BPTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO 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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 TP53 729/4885GAA 1323/4885SMN1; SMN2 3024/4885

“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.