SCHEMBL22023973

SCHEMBL22023973

CCCC(C)(C)c1cccc2nonc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL19040901 0.87 KMT2A (0.41) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL23597829 0.84 ALDH1A1 (0.39) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL21236222 0.81 ALDH1A1 (0.36) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL1104678 0.79 KMT2A (0.46) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL6002955 0.76 KMT2A (0.44) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL21577670 0.74 KMT2A (0.35) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL21941492 0.72 KMT2A (0.33) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL22326626 0.71 MTNR1A (0.40) —
SCHEMBL25908017 0.70 MEN1 (0.43) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL20780688 0.69 MAPK1 (0.44) KMT2AMAPK1MEN1TDP1L3MBTL1

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-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 — — US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 — — 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF KMT2A 3369/4885MAPK1 1118/4885MEN1 3467/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF KMT2A 3369/4885MAPK1 1118/4885MEN1 3467/4885

“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.

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