SCHEMBL6401458

SCHEMBL6401458

COc1ccc(P(c2ccc(OC)cc2)c2cc(C)c(C)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ACHE P22303 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
PKM P14618 2/20 0.38
TUBB1 Q9H4B7 1/20 0.38
FFAR4 Q5NUL3 4/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL17529912 0.81 ACHE (0.48) CA1CA2CA7CA9CA12
SCHEMBL17529662 0.78 ACHE (0.48) CA1CA2CA7CA9CA12
SCHEMBL301193 0.78 TUBB1 (0.37) CA1CA2CA7CA9CA12
SCHEMBL15658842 0.76 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL50047 0.76 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL3830970 0.76 ESR1 (0.45) CA1CA2CA9CA12CA14
SCHEMBL1988632 0.75 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL1129331 0.74 ALDH1A1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL31328597 0.74 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL31378153 0.74 CA1 (0.61) CA1CA2CA7CA9CA12

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-6955851-B2 Hydroxyaryl phosphine oxides, glycidyl ethers and epoxy compositions, composites and laminates derived therefrom PABU SERVICES, INC. (US) 2005-10-18 US disclosed
US-20040121990-A1 Novel hydroxyaryl phosphine oxides, glycidyl ethers and epoxy compositions, composites and laminates derived therefrom GREAT LAKES CHEMICAL CORPORATION 2004-06-24 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-20040121990-A1 Novel hydroxyaryl phosphine oxides, glycidyl ethers and epoxy compositions, composites and laminates derived therefrom PFAS, PTPMT1, PWWP2B CA1 4846/4885CA2 4816/4885CA7 4458/4885

“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.