SCHEMBL19100970

SCHEMBL19100970

COC(=O)c1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13779473 0.98 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL29141387 0.88 LMNA (0.47) LMNAGAAKDM4ETSHRMAPT
SCHEMBL14344872 0.85 CYP1A2 (0.59) CA1CA2CA12CA7CA9
SCHEMBL23796581 0.82 CYP3A4 (0.56) CA1CA2CA12CA7CA9
SCHEMBL8395371 0.82 GAA (0.45) CA1CA2CA12CA7CA9
SCHEMBL399550 0.81 KDM4E (0.57) CA1CA2CA12CA7CA9
SCHEMBL3308973 0.79 BCL2L1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL3310733 0.79 KDR (0.43) CA1CA2CA12CA7CA9
SCHEMBL11253706 0.79 GAA (0.51) CA1CA2CA12CA7CA9
SCHEMBL23302512 0.79 CA12 (0.42) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME UNIV ILLINOIS (US) 2020-10-22 US disclosed
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME UNIV ILLINOIS (US) 2020-10-22 US disclosed
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-07-07 US disclosed
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-07-07 US disclosed
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-01-03 US disclosed
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-01-03 US disclosed
EP-3400071-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME The Board of Trustees of the University of Illinois (US) 2018-11-14 EP disclosed
WO-2017120507-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-07-13 WO disclosed
WO-2017120507-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-07-13 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-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same GPER1, ESRRG, ESR2 CA1 618/4885CA2 2016/4885CA12 1928/4885
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 CA1 810/4885CA2 2607/4885CA12 1930/4885
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 CA1 810/4885CA2 2607/4885CA12 1930/4885

“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.