SCHEMBL891434

SCHEMBL891434

C=CCOC(=O)On1nnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.49
▸ HDAC3 O15379 3/20 0.48
▸ HDAC4 P56524 3/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC7 Q8WUI4 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ HDAC10 Q969S8 3/20 0.48
▸ HDAC11 Q96DB2 3/20 0.48
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC9 Q9UKV0 3/20 0.48
▸ HDAC5 Q9UQL6 3/20 0.48
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL14123347 0.84 SIRT2 (0.55) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL39113 0.82 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29773981 0.82 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL277619 0.82 HDAC3 (0.54) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15459767 0.81 SIRT2 (0.51) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL125531 0.81 SIRT2 (0.51) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5000788 0.80 NPC1 (0.52) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12254053 0.80 HDAC3 (0.52) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8923522 0.79 SIRT2 (0.55) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10299923 0.78 HDAC3 (0.54) SIRT2HDAC3HDAC4HDAC1HDAC7

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112143140-A Cold-resistant PVC sheet and preparation process thereof 温州一派塑业有限公司 2020-12-29 — — CN claimed
US-7235698-B2 Enantioselective, catalytic allylation of ketones and olefins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-26 — — US claimed
US-20060084820-A1 Enantioselective, catalytic allylation of ketones and olefins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-04-20 — — US claimed
CN-112143140-A Cold-resistant PVC sheet and preparation process thereof 温州一派塑业有限公司 2020-12-29 — — CN disclosed
US-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION MERCK SHARP & DOHME CORP. 2019-07-11 — — US disclosed
WO-2018035424-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION YALE UNIVERSITY (US) 2018-02-22 — — WO disclosed
US-20120082645-A1 2'-C-METHYL-RIBOFURANOSYL CYTIDINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF XENOPORT, INC. (US) 2012-04-05 — — US disclosed
US-8058260-B2 2′-C-methyl-ribofuranosyl cytidine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2011-11-15 — — US disclosed
US-7803785-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2010-09-28 — — US disclosed
US-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-01-21 — — US disclosed
US-7608602-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2009-10-27 — — US disclosed
WO-2001020331-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT, INC. (US) 2001-03-22 — — WO disclosed
WO-1999064049-A9 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE INC (US) 2001-01-18 — — WO disclosed
WO-2000069892-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-11-23 — — WO disclosed
WO-2000066528-A2 QUINONES FOR TREATMENT OF DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 — — WO disclosed
EP-1005356-A1 NOVEL ANTIBACTERIAL AGENTS Advanced Medicine, Inc. (US) 2000-06-07 — — EP disclosed
WO-2000004044-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-01-27 — — WO disclosed
WO-1999064049-A1 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE, INC. (US) 1999-12-16 — — WO disclosed
US-5026838-A Starting materials for polynucleotides NIPPON ZEON CO., LTD. (JP) 1991-06-25 — — US disclosed
EP-0216357-A2 Phosphoramidite compounds and process for production thereof NIPPON ZEON CO., LTD. (JP) 1987-04-01 — — EP 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 (4 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-20060084820-A1 Enantioselective, catalytic allylation of ketones and olefins AKR1C2, TECR, AKR1C4 SIRT2 2024/4885HDAC3 1120/4885HDAC4 1240/4885
US-20120082645-A1 2'-C-METHYL-RIBOFURANOSYL CYTIDINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MTAP, NSUN2, CDA SIRT2 958/4885HDAC3 1697/4885HDAC4 3581/4885
US-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION ERG28, PAICS, BAK1 SIRT2 838/4885HDAC3 341/4885HDAC4 209/4885
US-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TYMP, GDA, GCG SIRT2 1874/4885HDAC3 2080/4885HDAC4 3131/4885

“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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