SCHEMBL9601098

SCHEMBL9601098

O=C(CCC(=O)OCCCl)OCCCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
DGKA P23743 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
DNM1 Q05193 1/20 0.33
APP P05067 1/20 0.31
NAAA Q02083 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10579103 0.90 LMNA (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL9683141 0.89 DGKA (0.54) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL11815183 0.87 DGKA (0.58) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL8918163 0.87
SCHEMBL8918169 0.87
SCHEMBL5498642 0.85
SCHEMBL28089557 0.85
SCHEMBL8724105 0.85 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL11821099 0.83 TDP1 (0.39) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL27928370 0.83 ADRA2A (0.41) ADRA2AADRA1AMAPTBLMDGKA

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
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed
US-11631897-B2 Ionic liquid additive for lithium-ion battery HIGH TECH BATTERY INC. (TW) 2023-04-18 US disclosed
US-11626620-B2 Ionic liquid additive for lithium-ion battery HIGH TECH BATTERY INC. (TW) 2023-04-11 US disclosed
US-20220238918-A1 IONIC LIQUID ADDITIVE FOR LITHIUM-ION BATTERY HIGH TECH BATTERY INC. (TW) 2022-07-28 US disclosed
EP-4033581-A1 IONIC LIQUIDS FOR USE AS ADDITIVE FOR A LITHIUM-ION BATTERY High Tech Battery Inc. (TW) 2022-07-27 EP disclosed
US-20220231335-A1 IONIC LIQUID ADDITIVE FOR LITHIUM-ION BATTERY HIGH TECH BATTERY INC. (TW) 2022-07-21 US disclosed
EP-3954722-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM Evonik Operations GmbH (DE) 2022-02-16 EP disclosed
US-20220033603-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-02-03 US disclosed
WO-2014024207-A1 PROCESS FOR PREPARATION OF SUCCINYLCHOLINE CHLORIDE NEON LABORATORIES LTD. (IN) 2014-02-13 WO disclosed
CN-1139432-A Prodrugs of inhibitor of HIV protease MERCK & CO INC (US) 1997-01-01 CN disclosed
US-5206420-A Reacting dialkyl succinates with excess dimethylaminoethanol an the presence of an alkali metal alcoholate or alkali metal amide catalyst; reacting the product with methyl halides HAFSLUND NYCOMED PHARMA AKTIENGESELLSCHAFT (AT) 1993-04-27 US disclosed
CN-1069485-A Process for preparation of succinylcholine halides HAFSLUND NYCOMED PHARMA (AT) 1993-03-03 CN disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
US-4104233-A VINYL HALIDE POLYMERS, SMOKE AND FIRE RETARDANTS MONSANTO COMPANY (US) 1978-08-01 US disclosed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US disclosed
US-3976627-A Vulcanizable compositions of carboxyl-containing polymers THE B.F. GOODRICH COMPANY (US) 1976-08-24 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-20220033603-A1 PROCESS AND COMPOSITION FOR THE PRODUCTION OF FLEXIBLE POLYURETHANE FOAM PUF60, FUS, PCBP1 ADRA2A 4443/4885ADRA1A 4605/4885MAPT 2344/4885

“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.