SCHEMBL30001745

SCHEMBL30001745

CC(C)(O)Cn1cnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.59
▸ CYP11B1 P15538 4/20 0.53
▸ CYP11B2 P19099 4/20 0.53
▸ TNF P01375 1/20 0.53
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ EGLN3 Q9H6Z9 1/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ TLR7 Q9NYK1 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ GGPS1 O95749 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL16684726 0.91 FDPS (0.68) FDPSTDP1CYP11B1CYP11B2TNF
SCHEMBL13111953 0.86 FDPS (0.65) FDPSTDP1CYP11B1CYP11B2TNF
SCHEMBL1128914 0.83 FDPS (0.61) FDPSTDP1CYP11B1CYP11B2TNF
SCHEMBL38662718 0.82 TDP1 (0.63) FDPSTDP1CYP11B1CYP11B2TNF
SCHEMBL989445 0.80 FDPS (0.62) FDPSTDP1CYP11B1CYP11B2TNF
SCHEMBL18638316 0.79 FDPS (0.43) FDPSTDP1CYP11B1CYP11B2TLR7
SCHEMBL11536548 0.79 TDP1 (0.54) FDPSTDP1CYP11B1CYP11B2TNF
SCHEMBL18638552 0.79 FGFR1 (0.45) FDPSTDP1TLR7KDM4ENPC1
SCHEMBL13313017 0.79 FGFR1 (0.45) FDPSCYP11B1CYP11B2TNFLMNA
SCHEMBL13313015 0.79 TNF (0.43) FDPSCYP11B1CYP11B2TNFLMNA

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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 — — 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 FDPS 1799/4885TDP1 760/4885CYP11B1 72/4885

“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.

Send feedback