SCHEMBL6831412

SCHEMBL6831412

COc1ccc(C(=O)N(C(C)C)C(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CA1 P00915 5/20 0.48
▸ CA2 P00918 5/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ PARP4 Q9UKK3 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MCOLN3 Q8TDD5 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL3298583 0.91 CES2 (0.55) CES2CES1HPGDKDM4ECA1
SCHEMBL6834847 0.81 CES2 (0.52) CES2CES1HPGDKDM4ECA1
SCHEMBL13412202 0.79 CES2 (0.53) CES2CES1HPGDKDM4ECA1
SCHEMBL8464944 0.76 CES2 (0.59) CES2CES1HPGDKDM4ECA1
SCHEMBL30527863 0.75 CES2 (0.64) CES2CES1HPGDKDM4ECA1
SCHEMBL11212295 0.74 CES2 (0.61) CES2CES1HPGDKDM4ECA1
SCHEMBL1659309 0.74 HPGD (0.73) CES2CES1HPGDKDM4ECA1
SCHEMBL5858910 0.74 HPGD (0.62) CES2CES1HPGDKDM4ECA1
SCHEMBL2592951 0.73 CES2 (0.47) CES2CES1HPGDKDM4ECA1
SCHEMBL5434766 0.73 CA1 (0.53) HPGDCA1CA2NPSR1MCOLN3

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-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 — — US disclosed
WO-2000055179-A1 NOVEL PHOSPHATE AND THIOPHOSPHATE PROTECTING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO disclosed
US-6121437-A SYNTHESIS OF OLIGONUCLEOTIDES USING OLIGONUCLEOTIDES OR NUCLEOTIDES WITH PROTECTED INTERNUCLEOSIDIC PHOSPHORUS FUNCTIONALITIES WHICH CAN BE REMOVED UNDER MILD CONDITIONS AND PRODUCE NONTOXIC BY-PRODUCTS ISIS PHARMACEUTICALS, INC. (US) 2000-09-19 — — 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-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 CES2 3825/4885CES1 3293/4885HPGD 3873/4885

“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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