SCHEMBL21976863

SCHEMBL21976863

Cc1cc(C)cc(-c2c3nc(c(Br)c4ccc([nH]4)c(-c4cc(C)cc(C)c4)c4nc(c(Br)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.48
▸ TOP1 P11387 4/20 0.44
▸ CYCS P99999 3/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41

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
SCHEMBL31612941 0.91 TERT (0.56) TERTTOP1CYCSABCG2ENPP2
SCHEMBL3476670 0.91 TERT (0.56) TERTTOP1CYCSABCG2ENPP2
SCHEMBL5013677 0.85 TERT (0.41) TERTTOP1CYCSABCG2ENPP2
SCHEMBL28061934 0.82 STAT3 (0.45) TERTTOP1CYCSABCG2ENPP2
SCHEMBL5013770 0.81 TERT (0.44) TERTTOP1CYCSABCG2ENPP2
SCHEMBL30831251 0.81 TERT (0.44) TERTTOP1CYCSABCG2ENPP2
SCHEMBL30831234 0.81 TOP1 (0.46) TERTTOP1CYCSABCG2ENPP2
SCHEMBL15943807 0.80 TOP1 (0.54) TERTTOP1CYCSABCG2ENPP2
SCHEMBL5011842 0.80 TOP1 (0.54) TERTTOP1CYCSABCG2ENPP2
SCHEMBL242168 0.79 TERT (0.62) TERTTOP1CYCSABCG2ENPP2

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-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-12-16 — — US disclosed
WO-2020085396-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION 国立大学法人北海道大学 2020-04-30 — — WO 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-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION MCCC2, CTRC, DDC TERT 1747/4885TOP1 1888/4885CYCS 10/4885

“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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