SCHEMBL620517

SCHEMBL620517

CCC(C)(C)OC(=O)CC(=O)OC(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DGAT1 O75907 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TET2 Q6N021 1/20 0.30

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
SCHEMBL19821814 0.93 MGAM (0.42) GAAMGAMSIMGAM2TSHR
SCHEMBL620518 0.88 LDHA (0.35) GAAMGAMSIMGAM2TSHR
SCHEMBL2059152 0.88 GAA (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL28949349 0.85 LMNA (0.40) GAAMGAMSIMGAM2TSHR
SCHEMBL28875947 0.84 CA4 (0.40) GAAMGAMSIMGAM2TSHR
SCHEMBL30997363 0.84 ALDH1A1 (0.32) GAAMGAMSIMGAM2TSHR
SCHEMBL19821874 0.84 ALDH1A1 (0.32) GAAMGAMSIMGAM2TSHR
SCHEMBL2380925 0.84 ALDH1A1 (0.39) GAAMGAMSIMGAM2TSHR
SCHEMBL142215 0.84 TSHR (0.39) GAAMGAMSIMGAM2TSHR
SCHEMBL5524337 0.82 ALDH1A1 (0.38) GAATSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232259-B Preparation method of nitroacetophenone 浙江理工大学 2021-05-28 CN claimed
CN-109503469-B Preparation method of 2-acetylpyridine 浙江理工大学 2020-08-04 CN claimed
EP-0261442-B1 MALONIC ACID DERIVATIVES NIHON NOHYAKU CO., LTD. (JP) 1991-11-13 EP claimed
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-03-17 US disclosed
CN-120118286-A Water-dispersible blocked isocyanate, fiber treating agent, water repellent agent, coating composition, and adhesive 三井化学株式会社 2025-06-10 CN disclosed
CN-120118458-A Curable composition, resin, and cured product 东京应化工业株式会社 2025-06-10 CN disclosed
CN-119937242-A Photosensitive resin composition 东京应化工业株式会社 2025-05-06 CN disclosed
CN-119604592-A Aqueous coating composition and method for forming multilayer coating film 关西涂料株式会社 2025-03-11 CN disclosed
CN-116323837-B Polyurethane curing agent and application thereof 旭化成株式会社 2024-10-25 CN disclosed
CN-118742206-A Antibacterial agent 三井化学株式会社 2024-10-01 CN disclosed
EP-3771720-B1 BLOCKED POLYISOCYANATE COMPOSITION, RESIN COMPOSITION, RESIN FILM AND LAMINATE ASAHI CHEMICAL IND (JP) 2024-05-01 EP disclosed
US-20140030528-A1 MULTILAYER COATING FILM-FORMING METHOD AND COATED KANSAI PAINT CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031484-A1 BLOCK POLYISOCYANATE COMPOUND KANSAI PAINT CO., LTD. (JP) 2014-01-30 US disclosed
CN-101501002-B Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE 2012-06-27 CN disclosed
WO-2012021446-A2 PROCESS FOR PREPARING ALISKIREN AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-16 WO disclosed
US-20110045191-A1 MIXED-BLOCKED POLYISOCYANATES AND USES THEREOF JONES RICHARD GARFIELD 2011-02-24 US disclosed
WO-2010136360-A2 BENZYLIDENE MALONATES BASF SE (DE) 2010-12-02 WO disclosed
CN-101501002-A Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
US-20040067318-A1 Mixed-blocked polyisocyanates and uses thereof BAXENDEN CHEMICALS LIMITED (GB) 2004-04-08 US disclosed
US-5849855-A Blocked polyisocyanate composition and one-pack thermocuring resin composition comprising the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-12-15 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-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product CD38, PARP9, MCCC2 GAA 2462/4885MGAM 1246/4885SI 2460/4885

“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.