SCHEMBL14306013

SCHEMBL14306013

COc1cc(C(=O)/C=C/c2ccc(C#N)cc2)cc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.79
▸ TNFRSF1A P19438 3/20 0.69
▸ ABCB1 P08183 2/20 0.65
▸ TUBB1 Q9H4B7 6/20 0.64
▸ TUBB4A P04350 3/20 0.64
▸ TUBB P07437 3/20 0.64
▸ TUBA3C P0DPH7 3/20 0.64
▸ TUBA1B P68363 3/20 0.64
▸ TUBA4A P68366 3/20 0.64
▸ TUBB4B P68371 3/20 0.64
▸ TUBB3 Q13509 3/20 0.64
▸ TUBB2A Q13885 3/20 0.64
▸ TUBB8 Q3ZCM7 3/20 0.64
▸ TUBA3E Q6PEY2 3/20 0.64
▸ TUBA1A Q71U36 3/20 0.64
▸ TUBA1C Q9BQE3 3/20 0.64
▸ TUBB6 Q9BUF5 3/20 0.64
▸ TUBB2B Q9BVA1 3/20 0.64
▸ KRAS P01116 1/20 0.64
▸ LMNA P02545 2/20 0.58

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 0.87 ABCG2 (0.79) ABCG2TNFRSF1AABCB1LMNAMAPT
SCHEMBL10582957 0.87 ABCG2 (0.79) ABCG2TNFRSF1AABCB1LMNAMAPT
SCHEMBL14306007 0.86 ABCB1 (0.76) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL15807324 0.86 ABCG2 (0.58) ABCG2TNFRSF1ATUBB1KRASLMNA
SCHEMBL14318031 0.85 ABCG2 (0.80) ABCG2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL15807424 0.85 ABCG2 (0.63) ABCG2TNFRSF1AABCB1LMNAMAPT
SCHEMBL6659039 0.83 ABCG2 (0.88) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL6780730 0.83 ABCG2 (0.88) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL615819 0.83 ABCG2 (0.88) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL10497922 0.83 ABCG2 (0.88) ABCG2TNFRSF1AABCB1TUBB1TUBB4A

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
EP-3333153-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2018-06-13 — — EP 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

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 777/4885ABCB1 934/4885
US-10737995-B2 Nuclear receptor modulators and their use for the treatment and prevention of cancer AR, NCOA1, NR5A1 ABCG2 742/4885TNFRSF1A 777/4885ABCB1 934/4885
US-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER AR, NCOA1, NR5A1 ABCG2 742/4885TNFRSF1A 777/4885ABCB1 934/4885

“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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