SCHEMBL14318031

SCHEMBL14318031

COc1cc(OC)cc(C(=O)/C=C/c2ccc(C#N)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.80
▸ MAPT P10636 4/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ P4HB P07237 5/20 0.61
▸ F3 P13726 1/20 0.59
▸ CYP1A1 P04798 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP1B1 Q16678 2/20 0.56
▸ BCHE P06276 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ MAOB P27338 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CALM1 P0DP23 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAOA P21397 1/20 0.54

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
SCHEMBL15807423 0.92 ABCG2 (0.68) ABCG2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL9520743 0.90 MAPT (0.73) ABCG2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL9520750 0.90 MAPT (0.73) ABCG2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL27903979 0.89 F3 (0.77) ABCG2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL14318118 0.89 F3 (0.77) ABCG2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL14306001 0.88 ABCG2 (0.82) ABCG2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL996620 0.86 ABCG2 (0.93) ABCG2MAPTALDH1A1LMNAP4HB
SCHEMBL996618 0.86 ABCG2 (0.93) ABCG2MAPTALDH1A1LMNAP4HB
SCHEMBL14306013 0.85 ABCG2 (0.79) ABCG2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL14317391 0.85 P4HB (0.83) ABCG2P4HBCYP1A1CYP1A2CYP1B1

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 742/4885MAPT 4183/4885ALDH1A1 902/4885
US-10737995-B2 Nuclear receptor modulators and their use for the treatment and prevention of cancer AR, NCOA1, NR5A1 ABCG2 742/4885MAPT 4183/4885ALDH1A1 902/4885
US-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER AR, NCOA1, NR5A1 ABCG2 742/4885MAPT 4183/4885ALDH1A1 902/4885

“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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