SCHEMBL25704253

SCHEMBL25704253

CC(C)(C)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5[nH]c2CC5)C=C4)C=C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.46
▸ CYCS P99999 3/20 0.45
▸ TERT O14746 3/20 0.44
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ABCG2 Q9UNQ0 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
SCHEMBL16978932 0.91 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL25703764 0.91 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL16978922 0.91 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL10002104 0.88 TOP1 (0.53) TOP1CYCSTERTSTAT3STAT1
SCHEMBL18887296 0.86 TOP1 (0.49) TOP1CYCSTERTSTAT3STAT1
SCHEMBL1971674 0.85 TERT (0.57) TOP1CYCSTERTENPP2HDAC6
SCHEMBL30774963 0.85 TERT (0.57) TOP1CYCSTERTENPP2HDAC6
SCHEMBL27949267 0.84 TERT (0.55) TOP1CYCSTERTENPP2HDAC6
SCHEMBL16923754 0.82 TOP1 (0.46) TOP1CYCSTERTSTAT3STAT1
SCHEMBL19879796 0.82 TOP1 (0.46) TOP1CYCSTERTSTAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TIANJIN NORMAL UNIVERSITY (CN) 2023-06-22 — — 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-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TPMT, NUDT1, PNP TOP1 885/4885CYCS 1541/4885TERT 461/4885

“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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