SCHEMBL12729593

SCHEMBL12729593

CC(C)[Si]1(C(C)C)OCC2OC(n3cnc4c(=O)[nH]c(NC(=O)OCC5c6ccccc6-c6ccccc65)nc43)CC2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ POLA1 P09884 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HINT1 P49773 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PDE5A O76074 3/20 0.32
▸ PDE1A P54750 3/20 0.32
▸ PDE1B Q01064 3/20 0.32
▸ PDE1C Q14123 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL17467846 0.85 ALDH1A1 (0.40) KDM4ETAS1R3TAS1R1ALDH1A1HINT1
SCHEMBL19840347 0.81 TAS1R3 (0.46) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL17834720 0.81 EPHX2 (0.31) CTSK
SCHEMBL12729601 0.80 KDM4E (0.39) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL12920214 0.80 TAS1R3 (0.45) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL412282 0.80 TAS1R3 (0.45) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL22984000 0.79 KDM4E (0.40) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL12729619 0.79 POLA1 (0.54) KDM4ETAS1R3TAS1R1POLA1HINT1
SCHEMBL3180065 0.79 POLA1 (0.54) KDM4ETAS1R3TAS1R1POLA1HINT1
SCHEMBL3180060 0.79 POLA1 (0.54) KDM4ETAS1R3TAS1R1POLA1HINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 — — US disclosed
US-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 — — US disclosed
US-9163053-B2 Nucleotide analogs FLUIDIGM CORPORATION (US) 2015-10-20 — — US disclosed
US-9163053-B2 Nucleotide analogs FLUIDIGM CORPORATION (US) 2015-10-20 — — US disclosed
US-20110081647-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION (US) 2011-04-07 — — 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-20110081647-A1 NUCLEOTIDE ANALOGS DUT, NT5C2, NUDT21 KDM4E 1828/4885TAS1R3 4303/4885TAS1R1 4194/4885

“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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