SCHEMBL21889641

SCHEMBL21889641

C#CCn1c(C)cc(C)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
HSP90AA1 P07900 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37

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
SCHEMBL21889762 0.84 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL11355497 0.74 KMT2A (0.50) CA12CA1CA2CA7CA9
SCHEMBL29123133 0.74 TSHR (0.71) KMT2ASMN1; SMN2LMNATSHRHPGD
SCHEMBL15908731 0.72 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL29712822 0.70 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9109079 0.68 MAPK1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1066558 0.67 L3MBTL1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL31193390 0.67 ALDH1A1 (0.68) KMT2ASMN1; SMN2LMNARAB9AHPGD
SCHEMBL11195139 0.66 KMT2A (0.49) CA12CA1CA2CA7CA9
SCHEMBL24728859 0.66 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2LMNARAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2023-02-23 US disclosed
US-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2023-02-23 US disclosed
CN-113166115-A Monomeric and multimeric anti-HBV agents 埃默里大学 2021-07-23 CN disclosed
WO-2020072955-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2020-04-09 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-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS HAVCR2, HMBS, HDGF CA12 3541/4885CA1 3497/4885CA2 3880/4885

“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.