SCHEMBL21068992

SCHEMBL21068992

CCOC(=O)C(F)(F)OCCCOCCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
MMP8 P22894 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
THRB P10828 1/20 0.40
PIN1 Q13526 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL21068544 0.94 POLB (0.42) POLBNPSR1LMNAKMT2AMAPT
SCHEMBL28943134 0.81 LMNA (0.48) POLBNPSR1LMNAKMT2AMAPT
SCHEMBL25802199 0.81 CYP4F2 (0.58) KMT2ANAAAALDH1A1RECQLMMP8
SCHEMBL28675737 0.79 MMP8 (0.48) POLBNPSR1LMNAKMT2AMAPT
SCHEMBL22739330 0.79 TDP1 (0.45) POLBNPSR1LMNAKMT2AMAPT
SCHEMBL21069073 0.78 CYP4F2 (0.60) POLBNPSR1KMT2AMAPTALDH1A1
SCHEMBL19434520 0.77 CYP4F2 (0.50) LMNAKMT2AMAPTNAAAALDH1A1
SCHEMBL22087971 0.77 MMP8 (0.53) LMNAKMT2ANAAAALDH1A1RECQL
SCHEMBL21068656 0.77 NAAA (0.45) LMNANAAAALDH1A1L3MBTL1TDP1
SCHEMBL26813230 0.77 NAAA (0.45) LMNANAAAALDH1A1L3MBTL1TDP1

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 3 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
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.