SCHEMBL10294709

SCHEMBL10294709

CCSCc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.47
TAAR1 Q96RJ0 4/20 0.47
TP53 P04637 2/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
DAO P14920 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MIF P14174 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL29722898 1.00 RAB9A (0.49) RAB9APOLBALDH1A1NPC1TAAR1
SCHEMBL29723380 0.87 RAB9A (0.54) RAB9APOLBALDH1A1NPC1TAAR1
SCHEMBL576677 0.87 RAB9A (0.54) RAB9APOLBALDH1A1NPC1TAAR1
SCHEMBL20734675 0.85 ACHE (0.46) RAB9AALDH1A1NPC1TAAR1TP53
SCHEMBL30753694 0.83 TP53 (0.56) RAB9APOLBALDH1A1NPC1TAAR1
SCHEMBL30451979 0.82 RAB9A (0.46) RAB9APOLBALDH1A1NPC1TAAR1
SCHEMBL775390 0.82 RAB9A (0.46) RAB9APOLBALDH1A1NPC1TAAR1
SCHEMBL775468 0.82 TAAR1 (0.55) TAAR1TP53IDO1AGXTDAO
SCHEMBL29001739 0.82 TAAR1 (0.43) RAB9APOLBALDH1A1NPC1TAAR1
SCHEMBL29902380 0.79 TAAR1 (0.50) RAB9APOLBALDH1A1NPC1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240297344-A1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-05 US disclosed
CN-117567331-A Synthesis method of 1, 2-dithioethane compound and 1, 4-dithiane 河北北方学院 2024-02-20 CN disclosed
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 CN disclosed
US-20220278370-A1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2022-09-01 US disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-111048841-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-21 CN disclosed
CN-105633345-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-01-17 CN disclosed
EP-2597717-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2018-07-25 EP disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 RAB9A 3470/4885POLB 3271/4885ALDH1A1 213/4885

“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.