SCHEMBL21069032

SCHEMBL21069032

O=C(CBr)OCCCCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.44
NAAA Q02083 1/20 0.43
ACHE P22303 6/20 0.43
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HTR2C P28335 1/20 0.35
APP P05067 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
SCHEMBL28686531 1.00 FAAH (0.48) FAAHCYP2C19L3MBTL1ALDH1A1TRPA1
SCHEMBL28704524 0.98 CYP2C19 (0.50) FAAHCYP2C19L3MBTL1ALDH1A1TRPA1
SCHEMBL11804455 0.91
SCHEMBL21883835 0.91 CYP2C19 (0.56) FAAHCYP2C19L3MBTL1ALDH1A1TRPA1
SCHEMBL11791714 0.91 CYP2C19 (0.56) FAAHCYP2C19L3MBTL1ALDH1A1TRPA1
SCHEMBL3283564 0.88 CYP2C19 (0.58) FAAHCYP2C19L3MBTL1ALDH1A1TRPA1
SCHEMBL1848803 0.83 CYP2C19 (0.58) FAAHCYP2C19L3MBTL1ALDH1A1TRPA1
SCHEMBL21069054 0.83 FAAH (0.42) FAAHNAAAACHEGAARAD52
SCHEMBL21068931 0.83 DGKA (0.45) FAAHNAAAACHEGAATSHR
SCHEMBL6680478 0.81 ACHE (0.50) FAAHALDH1A1NAAAACHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 FAAH 2708/4885CYP2C19 103/4885L3MBTL1 307/4885

“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.