SCHEMBL822176

SCHEMBL822176

O=C(CC(=O)OCCCCO)OCCCCO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.47
FAAH O00519 2/20 0.44
NAAA Q02083 1/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX1 P07099 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL6680478 0.97 ACHE (0.50) ACHEFAAHNAAAGAAMGAM
SCHEMBL741560 0.97 ACHE (0.50) ACHEFAAHNAAAGAAMGAM
SCHEMBL6681823 0.97 ACHE (0.50) ACHEFAAHNAAAGAAMGAM
SCHEMBL21143381 0.97 ACHE (0.50) ACHEFAAHNAAAGAAMGAM
SCHEMBL6681554 0.92 GAA (0.43) ACHEFAAHNAAAGAAMGAM
SCHEMBL31594574 0.91 ACHE (0.46) ACHEFAAHNAAAGAAMGAM
SCHEMBL28203404 0.88 ACHE (0.43) ACHEFAAHNAAAGAARAD52
SCHEMBL741589 0.87 ACHE (0.47) ACHEFAAHNAAAGAAMGAM
SCHEMBL743412 0.87 ACHE (0.47) ACHEFAAHNAAAGAAMGAM
SCHEMBL10910388 0.86 ACHE (0.46) ACHEFAAHNAAAGAARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929574-B Method for preparing butanediol ester compound from tetrahydrofuran compound 中国科学院山西煤炭化学研究所 2024-02-02 CN disclosed
CN-116063654-A Oil-resistant thermoplastic polyurethane elastomer and preparation method and application thereof 万华化学集团股份有限公司 2023-05-05 CN disclosed
CN-113929574-A Method for preparing butanediol ester compounds from tetrahydrofuran compounds 中国科学院山西煤炭化学研究所 2022-01-14 CN disclosed
US-10884348-B2 Electrophotographic photoreceptor, and electrophotographic cartridge and image forming apparatus including same MITSUBISHI CHEMICAL CORPORATION (JP) 2021-01-05 US disclosed
US-20190219938-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, AND ELECTROPHOTOGRAPHIC CARTRIDGE AND IMAGE FORMING APPARATUS INCLUDING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-18 US disclosed
CN-109791381-A Electrophotographic photoreceptor, and electrophotographic process cartridge and image forming apparatus containing the same 三菱化学株式会社 2019-05-21 CN disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 US disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 ACHE 4438/4885FAAH 2088/4885NAAA 913/4885

“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.