SCHEMBL3198274

SCHEMBL3198274

Oc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 3/20 0.36
ESRRA P11474 3/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
TRPV1 Q8NER1 4/20 0.34
ESR1 P03372 4/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
ESR2 Q92731 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX5 P09917 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PRF1 P14222 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL3189162 0.89 ESRRB (0.39) ESRRBESRRAESR1ALOX5PRF1
SCHEMBL3178841 0.86 ESRRB (0.49) ESRRBESRRAESR1ESR2HDAC6
SCHEMBL3185517 0.84 ESR1 (0.40) ESRRBESRRAESR1ESR2CYP11B1
SCHEMBL3190566 0.83 ESRRB (0.47) ESRRBESRRAESR1ESR2CYP11B1
SCHEMBL3203612 0.82 ESR1 (0.40) ESRRBESRRAESR1ESR2
SCHEMBL3188483 0.82 ALOX5 (0.39) ESRRBESRRAESR1ESR2ALOX5
SCHEMBL3190395 0.81 GPR84 (0.38) ESRRBESRRAESR1ESR2PRF1
SCHEMBL3197921 0.81 ESR1 (0.36) ESRRBESRRAESR1ESR2PRF1
SCHEMBL3191309 0.80 ESR2 (0.41) ESRRBESRRAESR1ESR2
SCHEMBL3201465 0.80 PIK3CA (0.39) ESRRBESRRAESR1ESR2ALOX5

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 ESRRB 3/4885ESRRA 4/4885PTGDR2 209/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA ESRRB 4/4885ESRRA 3/4885PTGDR2 239/4885

“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.