SCHEMBL4456574

SCHEMBL4456574

N#Cc1c(O)ccc2c1oc1c3cc(O)ccc3ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.50
ESR2 Q92731 10/20 0.50
CYP19A1 P11511 1/20 0.42
HSD17B3 P37058 1/20 0.40
CSNK2A1 P68400 1/20 0.39
DYRK1A Q13627 1/20 0.38
MIF P14174 1/20 0.37
CA9 Q16790 1/20 0.37
TERT O14746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ESRRB O95718 1/20 0.34

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
SCHEMBL4442936 0.91 ESR1 (0.54) ESR1ESR2HSD17B3CSNK2A1DYRK1A
SCHEMBL13960037 0.79 ESR1 (0.48) ESR1ESR2CYP19A1DYRK1AMIF
SCHEMBL4450099 0.68 ESR1 (0.36) ESR1ESR2HSD17B3MIFTERT
SCHEMBL27647573 0.67 ESR1 (0.44) ESR1ESR2CA9KDM4EALDH1A1
SCHEMBL3923282 0.67 ESR1 (1.00) ESR1ESR2
SCHEMBL13959560 0.66 MAOA (0.39) ESR1ESR2HSD17B3MIFTERT
SCHEMBL25017521 0.65 ESR1 (0.51) ESR1ESR2HSD17B3MIFCA9
Water SCHEMBL15639792 0.65 ESR1 (0.43) ESR1ESR2LMNAALOX15HSD17B10
SCHEMBL1855575 0.64 ESR1 (0.54) ESR1ESR2KDM4EALDH1A1LMNA
SCHEMBL18327130 0.64 DYRK1A (0.69) ESR1ESR2CYP19A1CSNK2A1DYRK1A

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 3/4885CYP19A1 18/4885
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 5/4885CYP19A1 9/4885

“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.