SCHEMBL622786

SCHEMBL622786

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HCAR2 Q8TDS4 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 3/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRB3 P13945 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 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
SCHEMBL6063978 0.87 TSHR (0.48) TSHRHCAR2KMT2AMEN1ALDH1A1
SCHEMBL2098739 0.80 TSHR (0.42) TSHRHCAR2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL29090138 0.78 TSHR (0.46) TSHRHCAR2KMT2AMEN1LMNA
SCHEMBL26939576 0.78 ELANE (0.34) TSHRELANEALDH1A1CYP2C19CYP2D6
SCHEMBL28145028 0.78 TSHR (0.40) TSHRHCAR2KMT2AMEN1ALDH1A1
SCHEMBL3371032 0.78 MAPT (0.35) TSHRELANECYP2C19MAPTNPSR1
SCHEMBL2478389 0.76 TSHR (0.48) TSHRHCAR2KMT2AMEN1ELANE
SCHEMBL4675881 0.74 TSHR (0.46) TSHRHCAR2KMT2AMEN1ALDH1A1
SCHEMBL4675760 0.74 TSHR (0.46) TSHRHCAR2KMT2AMEN1ALDH1A1
SCHEMBL448528 0.74 TSHR (0.46) TSHRHCAR2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700654-A Copolyester for weather-resistant coating and preparation method and application thereof 中瀚新材料科技有限公司 2024-03-15 CN claimed
CN-115449900-B Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2023-11-21 CN claimed
CN-115449900-A Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2022-12-09 CN claimed
WO-2012021446-A2 PROCESS FOR PREPARING ALISKIREN AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-16 WO claimed
CN-117700654-A Copolyester for weather-resistant coating and preparation method and application thereof 中瀚新材料科技有限公司 2024-03-15 CN disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
CN-115449900-B Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2023-11-21 CN disclosed
CN-115449900-A Texturing treating agent, preparation method thereof and method for texturing monocrystalline silicon wafer 浙江奥首材料科技有限公司 2022-12-09 CN disclosed
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP disclosed
US-8436009-B2 Prodrug of triazolone compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-07 US disclosed
EP-2571862-A1 PRODRUG OF TRIAZOLONE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-03-27 EP disclosed
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US disclosed
WO-2012021446-A2 PROCESS FOR PREPARING ALISKIREN AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-16 WO disclosed
WO-2011145747-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-24 WO disclosed
US-4824981-A REACTING MALONATES WITH TRIALKYLSILANES, ALKALI METAL AND DIALKYLMALONIC ACID; PURITY DOW CORNING CORPORATION (US) 1989-04-25 US disclosed
EP-0298363-A2 A process to produce silyl ketene acetals DOW CORNING CORPORATION (US) 1989-01-11 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 (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-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND F7, TFPI, TFPI2 TSHR 1050/4885HCAR2 1592/4885KMT2A 2484/4885

“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.