SCHEMBL21068792

SCHEMBL21068792

OCCC(F)(F)CCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CA1 P00915 1/20 0.40
CHRM3 P20309 5/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A3 Q01959 1/20 0.40
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
GBA1 P04062 1/20 0.39
SI P14410 1/20 0.39
NAAA Q02083 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
SCHEMBL21068743 0.92 TSHR (0.45) TSHRKDM4EPOLBPTPN2PTPN1
SCHEMBL8743553 0.88 KDM4E (0.50) TSHRKDM4EPOLBPTPN2PTPN1
SCHEMBL9836769 0.84 KDM4E (0.54) TSHRKDM4EPOLBCA1UGCG
SCHEMBL9836818 0.81 TSHR (0.48) TSHRKDM4EPOLBPTPN2PTPN1
SCHEMBL9237332 0.81 KDM4E (0.50) TSHRKDM4EPOLBPTPN2PTPN1
SCHEMBL28776126 0.80 TSHR (0.56) TSHRKDM4EPOLBPTPN2PTPN1
Hydrochloric Acid SCHEMBL27288994 0.79 TSHR (0.47) TSHRKDM4EPOLBPTPN2PTPN1
SCHEMBL30782112 0.78 KDM4E (0.47) TSHRKDM4EPOLBPTPN2PTPN1
SCHEMBL9116753 0.77 TSHR (0.48) TSHRKDM4EPOLBPTPN2PTPN1
SCHEMBL30425799 0.77 TSHR (0.64) TSHRKDM4EPOLBCA1CHRM3

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 TSHR 687/4885KDM4E 647/4885POLB 3468/4885

“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.