SCHEMBL9394061

SCHEMBL9394061

O=c1cc[nH]c(=O)n1COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ TSHR P16473 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ TK1 P04183 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ F2 P00734 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
SCHEMBL5272693 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP3A4HPGDLMNA
Ethylene SCHEMBL28028832 0.77 KDM4E (0.51) ALDH1A1L3MBTL1CYP3A4HPGDLMNA
SCHEMBL2786159 0.75 ALDH1A1 (0.54) ALDH1A1TSHRL3MBTL1POLBCYP2C9
SCHEMBL21178006 0.75 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1NSD2ABL1
SCHEMBL8151931 0.74 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1NSD2ABL1
SCHEMBL9173089 0.74 L3MBTL1 (0.55) ALDH1A1TSHRL3MBTL1NSD2ABL1
SCHEMBL6723373 0.73 ALDH1A1 (0.59) ALDH1A1TSHRL3MBTL1CYP2C9CYP2C19
Benzaldehyde SCHEMBL5801520 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP3A4HPGDLMNA
SCHEMBL12214476 0.71 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1CYP3A4HPGD
SCHEMBL6719602 0.70 ALDH1A1 (0.75) ALDH1A1TSHRL3MBTL1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP claimed
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 — — US claimed
EP-3131914-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV Idenix Pharmaceuticals LLC (US) 2017-02-22 — — EP claimed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 — — US claimed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 — — WO claimed
WO-2023208023-A1 DEUTERATED CHEMICAL MODIFICATION AND OLIGONUCLEOTIDE INCLUDING SAME 上海拓界生物医药科技有限公司 2023-11-02 — — WO disclosed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 — — US disclosed
EP-3131914-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV Idenix Pharmaceuticals LLC (US) 2017-02-22 — — EP disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 — — WO disclosed
WO-1994022886-A1 HETEROATOMIC OLIGONUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 — — 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 (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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 ALDH1A1 1322/4885TSHR 3830/4885L3MBTL1 1086/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 ALDH1A1 1311/4885TSHR 3814/4885L3MBTL1 1142/4885

“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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