SCHEMBL4856288

SCHEMBL4856288

c1ccc2c(-c3[nH]c4ccccc4c3-c3ccc(N(c4ccc(-c5c(-c6cccc7ccccc67)[nH]c6ccccc56)cc4)c4ccc(-c5c(-c6cccc7ccccc67)[nH]c6ccccc56)cc4)cc3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.47
▸ ESR2 Q92731 4/20 0.47
▸ GSK3B P49841 1/20 0.44
▸ ADK P55263 1/20 0.44
▸ MAPK14 Q16539 1/20 0.40
▸ PTGS2 P35354 11/20 0.40
▸ BCHE P06276 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ EGFR P00533 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
SCHEMBL16107082 0.81 GSK3B (0.56) ESR1ESR2GSK3BADKBCHE
SCHEMBL4856554 0.80 ESR1 (0.76) ESR1ESR2MAPK14PTGS2EGFR
SCHEMBL4853052 0.79 ESR1 (0.51) ESR1ESR2MAPK14PTGS2
SCHEMBL17550872 0.77 CA12 (0.51) —
SCHEMBL25098590 0.76 CA12 (0.54) —
SCHEMBL6374305 0.76 CA12 (0.54) —
SCHEMBL12774523 0.75 MCL1 (0.38) —
SCHEMBL10063913 0.75 MCL1 (0.38) —
SCHEMBL25628793 0.75 CA12 (0.44) —
SCHEMBL10063918 0.75 CA12 (0.44) —

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-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 — — US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 — — 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-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 ESR1 1360/4885ESR2 3936/4885GSK3B 1551/4885

“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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