SCHEMBL21068544

SCHEMBL21068544

CCOC(=O)C(F)(F)OCCOCCCCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
MMP8 P22894 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
THRB P10828 1/20 0.40
PIN1 Q13526 1/20 0.39

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
SCHEMBL21068992 0.94 POLB (0.43) POLBNPSR1LMNAL3MBTL1KMT2A
SCHEMBL19434520 0.82 CYP4F2 (0.50) LMNAL3MBTL1KMT2AMAPTTDP1
SCHEMBL28943134 0.80 LMNA (0.48) POLBNPSR1LMNAL3MBTL1KMT2A
SCHEMBL25802199 0.80 CYP4F2 (0.58) L3MBTL1KMT2ATDP1ALDH1A1RECQL
SCHEMBL21068580 0.78 CYP4F2 (0.63) POLBNPSR1KMT2AMAPTALDH1A1
SCHEMBL5301360 0.78 L3MBTL1 (0.44) POLBNPSR1L3MBTL1KMT2ATDP1
SCHEMBL8609385 0.78 L3MBTL1 (0.47) L3MBTL1KMT2ATDP1ALDH1A1RECQL
SCHEMBL17746742 0.78 CYP4F2 (0.50) L3MBTL1KMT2ATDP1ALDH1A1RECQL
SCHEMBL21421875 0.78 LTA4H (0.43) LMNAL3MBTL1TDP1ALDH1A1
SCHEMBL21068540 0.78 LTA4H (0.43) LMNAL3MBTL1TDP1ALDH1A1

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 POLB 3468/4885NPSR1 1006/4885LMNA 702/4885

“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.