SCHEMBL21069166

SCHEMBL21069166

OCC(F)(F)COCCCCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
UGCG Q16739 4/20 0.43
GBA2 Q9HCG7 4/20 0.43
GBA1 P04062 4/20 0.43
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.40
SI P14410 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL21068524 0.95 KDM4E (0.50) KDM4EPOLBL3MBTL1TDP1UGCG
SCHEMBL9276198 0.87 KDM4E (0.62) KDM4EPOLBUGCGGBA2GBA1
SCHEMBL19437686 0.84 KDM4E (0.51) KDM4EPOLBL3MBTL1TDP1UGCG
SCHEMBL19437584 0.82 KDM4E (0.53) KDM4EPOLBL3MBTL1TDP1UGCG
SCHEMBL8743553 0.80 KDM4E (0.50) KDM4EPOLBUGCGGBA2GBA1
SCHEMBL20937625 0.80 KDM4E (0.47) KDM4EPOLBL3MBTL1TDP1UGCG
SCHEMBL8743637 0.80 TSHR (0.52) KDM4EPOLBTSHR
SCHEMBL21068541 0.80 L3MBTL1 (0.42) KDM4EPOLBL3MBTL1TDP1UGCG
SCHEMBL19437656 0.79 L3MBTL1 (0.47) KDM4EPOLBL3MBTL1TDP1UGCG
SCHEMBL9011624 0.79 TSHR (0.67) L3MBTL1TDP1UGCGGBA2GBA1

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
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 KDM4E 647/4885POLB 3468/4885L3MBTL1 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.