SCHEMBL3179995

SCHEMBL3179995

Oc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.34
CYP3A4 P08684 4/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
ESRRB O95718 4/20 0.34
ESRRA P11474 4/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PDE4D Q08499 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MIF P14174 1/20 0.31

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
SCHEMBL3180006 0.88 CBFB (0.36) CYP17A1CYP3A4CYP11B1CYP11B2ESRRB
SCHEMBL3201465 0.83 PIK3CA (0.39) CYP17A1CYP3A4CYP11B1CYP11B2ESRRB
SCHEMBL3188483 0.82 ALOX5 (0.39) CYP17A1CYP3A4CYP11B1CYP11B2ESRRB
SCHEMBL3187385 0.81 CYP11B1 (0.53) CYP17A1CYP3A4CYP11B1CYP11B2MIF
SCHEMBL3193942 0.81 MIF (0.41) CYP17A1CYP3A4CYP11B1CYP11B2ESRRB
SCHEMBL3178098 0.81 ESR2 (0.41) ESRRBESRRAESR1ESR2ALDH1A1
SCHEMBL3186772 0.81 ESR1 (0.39) CYP17A1CYP3A4CYP11B1CYP11B2ESRRB
SCHEMBL3195435 0.80 ESRRB (0.39) CYP17A1CYP3A4CYP11B1CYP11B2ESRRB
SCHEMBL3187220 0.80 ESR1 (0.41) CYP17A1CYP3A4CYP11B1CYP11B2ESR1
SCHEMBL3190021 0.80 ESR1 (0.36) ESRRBESRRAESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 US claimed
EP-1718630-A1 DIBENZO CHROMENE DERIVATIVES AND THEIR USE AS ER&bgr; SELECTIVE LIGANDS Wyeth a Corporation of the State of Delaware (US) 2006-11-08 EP claimed
US-20050234074-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2005-10-20 US claimed
WO-2005082880-A1 DIBENZO CHROMENE DERIVATIVES AND THEIR USE AS ERβ SELECTIVE LIGANDS WYETH (US) 2005-09-09 WO claimed
US-7671084-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2010-03-02 US disclosed
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2007-03-01 US disclosed
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 US disclosed
EP-1718630-A1 DIBENZO CHROMENE DERIVATIVES AND THEIR USE AS ER&bgr; SELECTIVE LIGANDS Wyeth a Corporation of the State of Delaware (US) 2006-11-08 EP disclosed
US-20050234074-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2005-10-20 US disclosed
WO-2005082880-A1 DIBENZO CHROMENE DERIVATIVES AND THEIR USE AS ERβ SELECTIVE LIGANDS WYETH (US) 2005-09-09 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 (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-20050234074-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRB CYP17A1 79/4885CYP3A4 378/4885CYP11B1 167/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA CYP17A1 79/4885CYP3A4 318/4885CYP11B1 135/4885

“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.