SCHEMBL24985274

SCHEMBL24985274

COc1cc(C(C)C)cc(CC(C)c2ccc3[nH]c(=O)[nH]c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 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
SCHEMBL20013700 0.75 CASR (0.33) MAPTALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL19998187 0.73 OGA (0.44) MAPTALDH1A1KMT2ATP53
SCHEMBL25843255 0.72 ESR1 (0.32) EDNRBEDNRA
SCHEMBL29910923 0.72 MAPT (0.58) MAPTALDH1A1GRIA1CACNG8
SCHEMBL4569783 0.72 MAPT (0.58) MAPTALDH1A1GRIA1CACNG8
SCHEMBL7448049 0.71 ALDH1A1 (0.43) MAPTALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL13969591 0.69 ALDH1A1 (0.48) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL12658621 0.67 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL18762866 0.67 CYP2D6 (0.36) ALDH1A1SMN1; SMN2TDP1EDNRBEDNRA
SCHEMBL13085751 0.66 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TDP1EDNRBEDNRA

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-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 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-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 MAPT 4608/4885ALDH1A1 2176/4885KMT2A 2570/4885

“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.