SCHEMBL6731394

SCHEMBL6731394

C/C=C\OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL201537 1.00 TSHR (0.48) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL201538 1.00 TSHR (0.48) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL29284778 0.89 TDP1 (0.43) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL27509183 0.85 TSHR (0.57) TSHRIDO1AGXTALDH1A1L3MBTL1
Phosphoric Acid Monomethyl Ester SCHEMBL6825269 0.84 TSHR (0.47) TSHRALDH1A1RAB9A
SCHEMBL58206 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL16594360 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL16594361 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL11798275 0.79 TSHR (0.50) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL7717208 0.78 IDO1 (0.46) TSHRIDO1AGXTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
US-6682869-B2 IN POLYMER SHIN-ETU CHEMICAL CO., LTD. (JP) 2004-01-27 US disclosed
CN-1400208-A Method for preparing 6-methyl-1,2,3-oxazine-4(3H)-ketone-2,2-dioxopotassium salt DING HONGHUI (CN) 2003-03-05 CN disclosed
US-20020037534-A1 Combinatorial preparation of a substance library with removal of a zwitterionic compound by precipitation BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 US disclosed
US-20010038971-A1 Chemical amplification, positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-11-08 US disclosed
EP-0704762-B1 Resist material and pattern formation WAKO PURE CHEM IND LTD (JP) 1999-12-15 EP disclosed
US-5558971-A HYDROXYSTYRENE POLYMER DERIVATIVES, PHOTOACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-24 US disclosed
US-5558976-A HYDROXYSTYRENE POLYMER DERIVATIVES, PHOTOACID GENERATOR, PHOTORESISTS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-24 US disclosed
EP-0704762-A1 Resist material and pattern formation WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-4695629-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
CN-86105506-A 6-methyl-3,4-dihydro-1,2,3-dislikes thiazine-4-ketone 2, the preparation method of 2-dioxide 1987-04-29 CN disclosed
CN-86105339-A 6-methyl-3,4-dihydro-1,2,3-oxygen thia azine hexamethylene-4-ketone 2, the preparation of 2-dioxide and method of purification 1987-04-08 CN disclosed
CN-86105877-A 6-methyl-3,4-dihydro-1,2,3-oxygen thiazine-4-ketone 2, the preparation of 2-dioxide and purification process thereof 1987-03-04 CN disclosed
US-4638063-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-20 US disclosed
CN-85104277-A Process for preparing 6-methyl-3, 4-dihydro-1, 2, 3-thiazin-4-one 2, 2-dioxide and its non-toxic salts, and process for preparing acetoacetamide-N-sulfonic acid 1986-12-03 CN disclosed
CN-85104278-A A kind of preparation 6-methyl-3,4-dihydro-1,2,3-thiazine-4-ketone 2, the method for 2-dioxide and nontoxicity salt thereof 1986-12-03 CN disclosed
US-4625024-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-25 US disclosed
US-4607100-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1986-08-19 US disclosed
US-4563521-A Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-07 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 (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-20020037534-A1 Combinatorial preparation of a substance library with removal of a zwitterionic compound by precipitation NEFM, PSPH, NGLY1 TSHR 3420/4885IDO1 3207/4885AGXT 2815/4885
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 TSHR 4838/4885IDO1 1237/4885AGXT 2381/4885

“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.