SCHEMBL13654238

SCHEMBL13654238

[N-]=[N+]=NCCOCCOCCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.58
▸ TSHR P16473 1/20 0.48
▸ ABCG2 Q9UNQ0 8/20 0.47
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MGMT P16455 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16437095 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL13671097 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL13671096 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL13671102 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL17414391 0.96 NAAA (0.53) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL17162030 0.95 NAAA (0.54) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL21070168 0.87 NAAA (0.49) NAAATSHRABCG2TDP1L3MBTL1
SCHEMBL30458266 0.86 NAAA (0.42) NAAAABCG2MGMT
SCHEMBL14448284 0.84 ABCG2 (0.47) NAAATSHRABCG2
SCHEMBL16682544 0.84 NAAA (0.41) NAAAABCG2MGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 — — US disclosed
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 — — US disclosed
US-8252778-B2 Highly fluorinated oils and surfactants and methods of making and using same UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-08-28 — — US disclosed
US-20090264397-A1 HIGHLY FLUORINATED OILS AND SURFACTANTS AND METHODS OF MAKING AND USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-22 — — 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 (2 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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 NAAA 4811/4885TSHR 4739/4885ABCG2 1278/4885
US-20090264397-A1 HIGHLY FLUORINATED OILS AND SURFACTANTS AND METHODS OF MAKING AND USING SAME FLOT1, ABCB4, SGMS1 NAAA 741/4885TSHR 3279/4885ABCG2 592/4885

“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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