SCHEMBL476827

SCHEMBL476827

O=C(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 4/20 0.52
GRM5 P41594 2/20 0.51
PLA2G4B P0C869 1/20 0.51
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.49
SLC1A1 P43005 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
Formaldehyde SCHEMBL8658362 0.96 TSHR (0.56) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL6702666 0.91 TSHR (0.56) TSHRNPC1ALDH1A1GRM5RAB9A
SCHEMBL7147100 0.90 NPC1 (0.57) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL23258691 0.90 ALDH1A1 (0.55) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL21962241 0.90 TSHR (0.54) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL9956104 0.90 TSHR (0.54) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL30984454 0.88 TSHR (0.52) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL6905812 0.88 TSHR (0.52) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL24737439 0.88 TSHR (0.52) TSHRNPC1ALDH1A1GRM5PLA2G4B
SCHEMBL1987313 0.88 TSHR (0.52) TSHRNPC1ALDH1A1GRM5RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457175-A Method for preparing 1, 3-dibenzyloxy-2-acetone 山东师范大学 2021-03-09 CN claimed
CN-112457175-B Method for preparing 1, 3-dibenzyloxy-2-acetone 山东师范大学 2022-09-02 CN disclosed
CN-112457175-A Method for preparing 1, 3-dibenzyloxy-2-acetone 山东师范大学 2021-03-09 CN disclosed
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides PFIZER INC. (US) 2018-10-30 US disclosed
US-20170305931-A1 N-[2-(2-AMINO-6,6-DISUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]THIAZIN-8a(8H)-YL)-1,3-THIAZOL-4-YL] AMIDES PFIZER INC. (US) 2017-10-26 US disclosed
US-9751895-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl)-1,3-thiazol-4-yl]amides PFIZER INC. (US) 2017-09-05 US disclosed
US-20170088558-A1 N-[2-(2-Amino-6,6-Disubstituted-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-YL)-1,3-Thiazol-4-YL]Amides PFIZER INC. (US) 2017-03-30 US disclosed
WO-2015006615-A1 ANTICANCER AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-01-15 WO disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-20030060621-A1 Process for preparing indolopyrrolocarbazole derivatives, intermediates therefor, and preparation process of the intermediates BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1258490-A1 PROCESS FOR PREPARING INDOLOPYRROLOCARBAZOLE DERIVATIVES, INTERMEDIATES THEREFOR, AND PREPARATION PROCESS OF THE INTERMEDIATES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
US-5767140-A USEFUL FOR TREATING AIDS SOUTHERN RESEARCH INSTITUTE (US) 1998-06-16 US disclosed
US-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed
EP-0165289-B1 NOVEL DERIVATIVES OF GUANINE Medivir Aktiebolag (SE) 1989-04-05 EP disclosed
US-4798833-A VIRICIDES ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1989-01-17 US disclosed
EP-0165289-A1 NOVEL DERIVATIVES OF GUANINE. ASTRA LAEKEMEDEL AB (SE) 1985-12-27 EP disclosed
WO-1985002845-A1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1985-07-04 WO disclosed
EP-0146516-A2 Derivatives of Guanine, process for their preparation and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-06-26 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 (5 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-20170305931-A1 N-[2-(2-AMINO-6,6-DISUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]THIAZIN-8a(8H)-YL)-1,3-THIAZOL-4-YL] AMIDES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R TSHR 149/4885NPC1 1230/4885ALDH1A1 304/4885
US-20170088558-A1 N-[2-(2-Amino-6,6-Disubstituted-4,4a,5,6-Tetrahydropyrano[3,4-d][1,3]Thiazin-8a(8H)-YL)-1,3-Thiazol-4-YL]Amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R TSHR 149/4885NPC1 1230/4885ALDH1A1 304/4885
US-20030060621-A1 Process for preparing indolopyrrolocarbazole derivatives, intermediates therefor, and preparation process of the intermediates WEE1, CYP4B1, CYP3A4 TSHR 3466/4885NPC1 4437/4885ALDH1A1 826/4885
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R TSHR 149/4885NPC1 1230/4885ALDH1A1 304/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 TSHR 3381/4885NPC1 2125/4885ALDH1A1 2121/4885

“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.