SCHEMBL3198596

SCHEMBL3198596

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 4/20 0.38
ESRRA P11474 4/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PRF1 P14222 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
PGR P06401 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
SCHEMBL3190686 0.86 ESRRB (0.38) ESRRBESRRAPRF1TRPV1ESR1
SCHEMBL3189162 0.85 ESRRB (0.39) ESRRBESRRAPRF1ESR1
SCHEMBL3195539 0.84 ESRRB (0.50) ESRRBESRRAPRF1TRPV1HSD17B1
SCHEMBL3188483 0.84 ALOX5 (0.39) ESRRBESRRAPRF1ESR1ESR2
SCHEMBL3186259 0.84 ESRRB (0.38) ESRRBESRRAPRF1TRPV1ESR1
SCHEMBL3187354 0.81 ESRRB (0.52) ESRRBESRRAMAPTTRPV1ESR1
SCHEMBL3191309 0.80 ESR2 (0.41) ESRRBESRRAESR1ESR2HSD17B1
SCHEMBL3186636 0.80 CYP17A1 (0.38) ESRRBESRRATDP1ESR1ESR2
SCHEMBL3185517 0.80 ESR1 (0.40) ESRRBESRRATDP1ESR1ESR2
SCHEMBL3200415 0.80 ESR1 (0.43) ESRRBESRRAESR1ESR2

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 4/4885MAPT 4459/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA ESRRB 4/4885ESRRA 3/4885MAPT 4472/4885

“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.