SCHEMBL8344882

SCHEMBL8344882

CC(CC=O)CCCC(C)(C)O.CCOC(C)OCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
Butane SCHEMBL873364 0.97 LMNA (0.35) LMNAMEN1CYP3A4KMT2AALOX15
Propylene Glycol SCHEMBL1245795 0.93 LMNA (0.32) LMNA
SCHEMBL5306831 0.87 MEN1 (0.39) LMNAMEN1CYP3A4KMT2AALOX15
SCHEMBL5604094 0.87 MEN1 (0.39) LMNAMEN1CYP3A4KMT2AALOX15
SCHEMBL94185 0.87 MEN1 (0.39) LMNAMEN1CYP3A4KMT2AALOX15
SCHEMBL464975 0.87 MEN1 (0.39) LMNAMEN1CYP3A4KMT2AALOX15
Butane SCHEMBL5165115 0.85 MEN1 (0.36) LMNAMEN1CYP3A4KMT2AALOX15
SCHEMBL8433661 0.85 MEN1 (0.38) LMNAMEN1CYP3A4KMT2AALOX15
SCHEMBL3949305 0.84 CYP3A4 (0.35) LMNAMEN1CYP3A4KMT2AALOX15
Propionic Acid SCHEMBL1871301 0.81 MEN1 (0.33) LMNAMEN1CYP3A4KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551825-A Lilac type aromatic compound 西姆莱斯有限公司 2022-12-30 CN disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
CN-104222079-A Monomorium pharaonis repellent containing hydroxycitronellal diethylacetal UNIV JIANGXI AGRICULTURAL 2014-12-24 CN disclosed
CN-104222079-A Monomorium pharaonis repellent containing hydroxycitronellal diethylacetal UNIV JIANGXI AGRICULTURAL 2014-12-24 CN disclosed
WO-1999016735-A1 METHOD FOR MAKING ACETAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
EP-0905115-A1 Method for making acetal compounds THE PROCTER & GAMBLE COMPANY (US) 1999-03-31 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 (5 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-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A LMNA 4044/4885MEN1 1772/4885CYP3A4 1434/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 LMNA 3900/4885MEN1 1107/4885CYP3A4 1205/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 LMNA 3842/4885MEN1 2488/4885CYP3A4 1259/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 LMNA 826/4885MEN1 1056/4885CYP3A4 2743/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 LMNA 826/4885MEN1 1056/4885CYP3A4 2743/4885

“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.