SCHEMBL3189162

SCHEMBL3189162

Oc1ccc2c(c1)COc1c-2cc2ccc(O)cc2c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 2/20 0.39
ESRRA P11474 2/20 0.39
DHODH Q02127 5/20 0.38
ESR1 P03372 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PRF1 P14222 1/20 0.34
ALOX5 P09917 1/20 0.34
ROCK2 O75116 1/20 0.33
ADORA1 P30542 1/20 0.33
ACLY P53396 1/20 0.33
XDH P47989 1/20 0.33
GALR1 P47211 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL3198274 0.89 ESRRB (0.36) ESRRBESRRAESR1CYP11B1CYP11B2
SCHEMBL3187354 0.87 ESRRB (0.52) ESRRBESRRAESR1CYP11B1CYP11B2
SCHEMBL3198596 0.85 ESRRB (0.38) ESRRBESRRAESR1PRF1
SCHEMBL3190686 0.83 ESRRB (0.38) ESRRBESRRAESR1CYP11B1CYP11B2
SCHEMBL3195539 0.82 ESRRB (0.50) ESRRBESRRACYP11B1CYP11B2PRF1
SCHEMBL3188483 0.81 ALOX5 (0.39) ESRRBESRRAESR1CYP11B1CYP11B2
SCHEMBL3186259 0.81 ESRRB (0.38) ESRRBESRRAESR1CYP11B1CYP11B2
SCHEMBL3191309 0.78 ESR2 (0.41) ESRRBESRRAESR1
SCHEMBL3185517 0.77 ESR1 (0.40) ESRRBESRRAESR1CYP11B1CYP11B2
SCHEMBL3186636 0.77 CYP17A1 (0.38) ESRRBESRRAESR1CYP11B1CYP11B2

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 8 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
US-20050234074-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2005-10-20 US 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 4/4885DHODH 2971/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA ESRRB 4/4885ESRRA 3/4885DHODH 3026/4885

“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.