SCHEMBL4450099

SCHEMBL4450099

N#Cc1c(O)ccc2c3c(oc12)-c1ccc(O)cc1CC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
MAPKAPK2 P49137 2/20 0.36
TERT O14746 1/20 0.36
MIF P14174 2/20 0.36
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
HSD17B3 P37058 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ESRRB O95718 1/20 0.34
ESRRA P11474 1/20 0.34
S1PR1 P21453 2/20 0.33
PIM1 P11309 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PRKCI P41743 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13959560 0.93 MAOA (0.39) ESR1ESR2MAPKAPK2TERTMIF
SCHEMBL4450658 0.80 ESR1 (0.42) ESR1ESR2MAPKAPK2MIFNR1H2
SCHEMBL13958284 0.77 ESR1 (0.35) ESR1ESR2MAPKAPK2MIFHSD17B3
SCHEMBL4450756 0.74 KDM4E (0.48) ESR1ESR2HSD17B3S1PR1HSP90AA1
SCHEMBL4449864 0.73 ESR2 (0.36) ESR1ESR2MAPKAPK2HSD17B3MAOB
SCHEMBL903654 0.72 CYP3A4 (0.51) ESR1ESR2NR1H2NR1H3PTGS1
SCHEMBL20031659 0.71 MIF (0.44) MAPKAPK2MIFNR1H2NR1H3PTGS1
SCHEMBL13960038 0.70 ESR1 (0.39) ESR1ESR2MAPKAPK2MIFESRRB
SCHEMBL13958279 0.69 MIF (0.40) ESR1ESR2MIFHSD17B3S1PR1
SCHEMBL4456574 0.68 ESR1 (0.50) ESR1ESR2TERTMIFHSD17B3

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 7 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
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 US claimed
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
CN-1993343-A Tetracyclic compounds as estrogen ligands WYETH CORP (US) 2007-07-04 CN disclosed
EP-1761513-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS Wyeth (US) 2007-03-14 EP disclosed
WO-2006007503-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS WYETH (US) 2006-01-19 WO disclosed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 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-20060004087-A1 Tetracyclic compounds as estrogen ligands ESR1, ESRRA, ESR2 ESR1 1/4885ESR2 3/4885MAPKAPK2 4507/4885
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 5/4885MAPKAPK2 3974/4885

“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.