SCHEMBL21068656

SCHEMBL21068656

CCOC(=O)COCCCOCCCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 2/20 0.43
PPID Q08752 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALOX5 P09917 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CSNK1D P48730 1/20 0.41

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
SCHEMBL26813230 1.00 NAAA (0.45) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21068903 0.99 NAAA (0.44) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21068327 0.99 NAAA (0.44) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21069059 0.99 NAAA (0.44) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21458941 0.99 NAAA (0.44) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL20057183 0.98 NAAA (0.46) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21069058 0.97 L3MBTL1 (0.45) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21068937 0.96 LTA4H (0.43) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21421875 0.96 LTA4H (0.43) NAAAABCB1ALDH1A1L3MBTL1MAPK1
SCHEMBL21068540 0.96 LTA4H (0.43) NAAAABCB1ALDH1A1L3MBTL1MAPK1

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 NAAA 2812/4885ABCB1 128/4885ALDH1A1 333/4885

“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.