SCHEMBL4455896

SCHEMBL4455896

N#Cc1cc2c(c3cccc(O)c13)OCc1cc(O)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.34
ESR2 Q92731 7/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
ESRRB O95718 3/20 0.34
ESRRA P11474 3/20 0.34
AR P10275 1/20 0.32
PRF1 P14222 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TYR P14679 1/20 0.32
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL6870570 0.88 AR (0.34) ESR2CA1CA2CA4CA6
SCHEMBL4450109 0.85 ESR1 (0.43) ESR1ESR2ESRRBESRRAAR
SCHEMBL3934285 0.84 ESR1 (0.36) ESR1ESR2CA1CA2CA4
SCHEMBL3929494 0.81 ESR1 (0.35) ESR1ESR2CA1CA2CA4
SCHEMBL3840410 0.81 ESR1 (0.41) ESR1ESR2CA1CA2CA4
SCHEMBL29384472 0.81 ESR1 (0.39) ESR1ESR2ESRRBESRRAAR
SCHEMBL3384063 0.81 ESR1 (0.39) ESR1ESR2ESRRBESRRAAR
SCHEMBL13960113 0.79 ESR1 (0.36) ESR1ESR2CA1CA2CA4
SCHEMBL3936209 0.77 ESR1 (0.43) ESR1ESR2CA1CA2CA4
SCHEMBL3924752 0.75 AR (0.34) ESR2CA1CA2CA4CA6

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-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US claimed
EP-1453820-B1 SUBSTITUTED 6H-DIBENZO[C,H]CHROMENES AS ESTROGENIC AGENTS WYETH CORP (US) 2005-06-01 EP claimed
WO-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 WO disclosed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US disclosed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US disclosed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US disclosed
EP-1453820-B1 SUBSTITUTED 6H-DIBENZO[C,H]CHROMENES AS ESTROGENIC AGENTS WYETH CORP (US) 2005-06-01 EP disclosed
EP-1453820-A1 SUBSTITUTED 6H-DIBENZO C,H]CHROMENES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-08 EP disclosed
WO-2003051863-A1 SUBSTITUTED 6H-DIBENZO[c,h]CHROMENES AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 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 (1 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-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION COL2A1, COL1A1, COL14A1 ESR1 4/4885ESR2 5/4885CA1 3298/4885

“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.