SCHEMBL6030455

SCHEMBL6030455

COC(=O)/C=C/c1ccc(C(F)(F)F)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.55
▸ TTR P02766 2/20 0.55
▸ PTPN1 P18031 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ TYR P14679 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ FDPS P14324 1/20 0.48
▸ POLB P06746 1/20 0.45

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
SCHEMBL6030457 1.00 APP (0.55) APPTTRPTPN1KDM4EALDH1A1
SCHEMBL3529897 0.84 APP (0.56) APPTTRPTPN1KDM4EALDH1A1
SCHEMBL3560696 0.83 IAPP (0.51) APPKDM4EHTTGAAFDPS
SCHEMBL3560692 0.83 IAPP (0.51) APPKDM4EHTTGAAFDPS
SCHEMBL6821360 0.82 APP (0.55) APPTTRPTPN1KDM4EALDH1A1
SCHEMBL6821362 0.82 APP (0.55) APPTTRPTPN1KDM4EALDH1A1
SCHEMBL6030726 0.82 APP (0.47) APPKDM4EPOLBPKMKMT2A
SCHEMBL3894458 0.82 APP (0.47) APPKDM4EPOLBPKMKMT2A
SCHEMBL6821096 0.81 APP (0.54) APPTTRPTPN1KDM4EALDH1A1
SCHEMBL6821093 0.81 APP (0.54) APPTTRPTPN1KDM4EALDH1A1

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
US-7102046-B2 By reaction of haloaromatics or arylsulfonates with olefins in presence of palladium catalyst, bulky nitrogen base and salt BAYER AKTIENGESELLSCHAFT (DE) 2006-09-05 — — US disclosed
US-20030105353-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-05 — — 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-20030105353-A1 Process for the arylation of olefins NEK6, JUN, AOC2 APP 4380/4885TTR 4144/4885PTPN1 2190/4885

“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.

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