SCHEMBL21068541

SCHEMBL21068541

FC(F)(COCCCCCOCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KIF11 P52732 1/20 0.38
TSHR P16473 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
TACR1 P25103 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL21068605 0.96 KIF11 (0.39) L3MBTL1TDP1KIF11TSHRPTPN2
SCHEMBL21069166 0.80 KDM4E (0.49) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL13133660 0.79 KIF11 (0.52) L3MBTL1TDP1KIF11TSHRHRH4
SCHEMBL8743637 0.78 TSHR (0.52) TSHRPTPN2PTPN1PTPN6TACR1
SCHEMBL30124398 0.78 TSHR (0.44) KIF11TSHRPTPN2PTPN1PTPN6
SCHEMBL17162080 0.76 KIF11 (0.49) L3MBTL1TDP1KIF11TSHRHRH4
SCHEMBL3335357 0.76 L3MBTL1 (0.50) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL816968 0.76 L3MBTL1 (0.50) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL25622585 0.75 KIF11 (0.55) KIF11TSHRPTPN2PTPN1PTPN6
SCHEMBL21068524 0.75 KDM4E (0.50) L3MBTL1TDP1TSHRPTPN2PTPN1

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 L3MBTL1 307/4885TDP1 806/4885KIF11 3473/4885

“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.