SCHEMBL27017147

SCHEMBL27017147

CC(C)(C)CC1CC(C)(C)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.33
HIF1A Q16665 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
SCHEMBL26460214 0.73 MAPT (0.38) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL26460182 0.71
SCHEMBL26460144 0.68 PGR (0.34)
SCHEMBL17540097 0.67 THRA (0.31)
SCHEMBL27322223 0.67 MAPT (0.35) MAPTKDM4E
SCHEMBL27322268 0.67 MAPT (0.35) MAPTKDM4E
SCHEMBL6327415 0.66 THRA (0.32)
SCHEMBL21247206 0.66
SCHEMBL108518 0.66
SCHEMBL25101326 0.64 MAPT (0.41) MAPTALDH1A1KDM4EPOLBTSHR

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-20240018126-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-01-18 US disclosed
US-20230140238-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-05-04 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 (2 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-20230140238-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 MAPT 1485/4885ALDH1A1 2039/4885KDM4E 3205/4885
US-20240018126-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 MAPT 1485/4885ALDH1A1 2039/4885KDM4E 3205/4885

“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.