SCHEMBL4285340

SCHEMBL4285340

COC(=O)c1ccc[c]c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
PDK2 Q15119 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK3 Q15120 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
SCHEMBL5597821 0.81 PDK2 (0.37) ALDH1A1LMNAKDM4EPDK2KMT2A
SCHEMBL4287348 0.80 GAA (0.47) CFTRALDH1A1LMNAKDM4EPOLB
SCHEMBL21268197 0.78 LMNA (0.42) CFTRALDH1A1HSD17B10LMNATSHR
SCHEMBL5140545 0.77 PARP1 (0.40) ALDH1A1HSD17B10LMNATSHRKDM4E
SCHEMBL16951611 0.77 TSHR (0.48) CFTRALDH1A1HSD17B10LMNATSHR
SCHEMBL670604 0.75 LMNA (0.50) CFTRALDH1A1HSD17B10LMNATSHR
SCHEMBL1098615 0.75 TSHR (0.50) CFTRALDH1A1HSD17B10LMNATSHR
SCHEMBL7406380 0.75 LMNA (0.55) CFTRALDH1A1HSD17B10LMNATSHR
SCHEMBL6555363 0.75 LMNA (0.46) CFTRALDH1A1HSD17B10LMNATSHR
SCHEMBL7006875 0.74 ALDH1A1 (0.56) CFTRALDH1A1HSD17B10LMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 CFTR 4466/4885ALDH1A1 2646/4885HSD17B10 3785/4885

“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.