SCHEMBL5378662

SCHEMBL5378662

O=C1CCCON1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL4185086 0.88 MEN1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL136476 0.69 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL31300122 0.69 AKR1C3 (0.40) MEN1KMT2AGAAMGLLMMP13
SCHEMBL5666187 0.69 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL23841260 0.69 KMT2A (0.65) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL718072 0.69 KMT2A (0.63) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL76559 0.68 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL7466356 0.68 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL27409503 0.68 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL849461 0.68 L3MBTL1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-7186844-B2 Method for producing cyclic carbamate ester MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2007-03-06 US disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
US-20050154200-A1 Method for producing cyclic carbamate ester MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-07-14 US disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 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-20050154200-A1 Method for producing cyclic carbamate ester CPS1, BCHE, CES2 ALDH1A1 3167/4885CYP1A2 642/4885CYP2C9 165/4885

“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.