SCHEMBL10582957

SCHEMBL10582957

COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.79
▸ TNFRSF1A P19438 4/20 0.71
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ LMNA P02545 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ ATM Q13315 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ ABCB1 P08183 1/20 0.65
▸ P4HB P07237 5/20 0.62
▸ PDE4A P27815 1/20 0.61
▸ PDE4B Q07343 1/20 0.61
▸ PDE4C Q08493 1/20 0.61
▸ PDE4D Q08499 1/20 0.61

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
SCHEMBL10582964 1.00 ABCG2 (0.79) ABCG2TNFRSF1AMEN1KMT2ALMNA
SCHEMBL15807424 0.90 ABCG2 (0.63) ABCG2TNFRSF1AMEN1KMT2ALMNA
SCHEMBL14306013 0.87 ABCG2 (0.79) ABCG2TNFRSF1ALMNAMAPTABCB1
SCHEMBL15807742 0.86 P4HB (0.83) ABCG2TNFRSF1AMEN1KMT2AABCB1
SCHEMBL25221520 0.85 P4HB (0.73) ABCG2TNFRSF1AMEN1KMT2ALMNA
SCHEMBL30384349 0.85 P4HB (0.73) ABCG2TNFRSF1AMEN1KMT2ALMNA
SCHEMBL30382589 0.85 P4HB (0.73) ABCG2TNFRSF1AMEN1KMT2ALMNA
SCHEMBL25285091 0.85 P4HB (0.73) ABCG2TNFRSF1AMEN1KMT2ALMNA
SCHEMBL2458577 0.84 ABCG2 (1.00) ABCG2TNFRSF1AMEN1KMT2ALMNA
SCHEMBL2458579 0.84 ABCG2 (1.00) ABCG2TNFRSF1AMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10737995-B2 Nuclear receptor modulators and their use for the treatment and prevention of cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-08-11 — — US disclosed
US-20190047932-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-02-14 — — US disclosed
US-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER HUMAN SERVICES (US) 2014-06-19 — — US disclosed
WO-2012174436-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-12-20 — — WO disclosed
EP-0307762-A1 Acrylic-acid amides and their use as fungicides F. HOFFMANN-LA ROCHE AG (CH) 1989-03-22 — — EP 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 (3 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-20190047932-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER AR, NCOA1, NR5A1 ABCG2 742/4885TNFRSF1A 777/4885MEN1 2036/4885
US-10737995-B2 Nuclear receptor modulators and their use for the treatment and prevention of cancer AR, NCOA1, NR5A1 ABCG2 742/4885TNFRSF1A 777/4885MEN1 2036/4885
US-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER AR, NCOA1, NR5A1 ABCG2 742/4885TNFRSF1A 777/4885MEN1 2036/4885

“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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