SCHEMBL3925870

SCHEMBL3925870

COc1ccc2c(c1)OCc1c-2nc2ccc(OC)cc2c1Br

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 10/20 0.65
ESRRA P11474 10/20 0.65
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 3/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL3930584 0.88 ESRRB (0.65) ESRRBESRRAMAPTKDM4ECYP3A4
SCHEMBL3925010 0.85 ESRRB (0.63) ESRRBESRRAMAPTKDM4ECYP3A4
SCHEMBL3922981 0.79 ESRRB (1.00) ESRRBESRRA
SCHEMBL5264488 0.79 ACHE (0.62) ESRRBESRRAMAPTKDM4ECYP3A4
SCHEMBL3935889 0.73 ESRRB (1.00) ESRRBESRRAMAPT
SCHEMBL3930778 0.71 ESRRB (1.00) ESRRBESRRAMAPTHSD17B10
SCHEMBL5265110 0.68 ACHE (0.66) ESRRBESRRAMAPTKDM4ECYP3A4
Dehydrovariabilin SCHEMBL31368572 0.68 MAPT (1.00) MAPTKDM4ECYP3A4MEN1USP2
Dehydrovariabilin SCHEMBL13657398 0.68 MAPT (1.00) MAPTKDM4ECYP3A4MEN1USP2
SCHEMBL4480502 0.66 DHODH (0.52) MAPTKDM4EMEN1KMT2ASMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 claimed
US-7354927-B2 6H-[1]benzopyrano[4,3-b]quinolines and their use as estrogenic agents WYETH (US) 2008-04-08 US claimed
EP-1789420-A2 6H-[1]BENZOPYRANO[4,3-b]QUINOLINES AND THEIR USE AS ESTROGENIC AGENTS Wyeth, A Corporation of the State of Delaware (US) 2007-05-30 EP claimed
WO-2006029146-A2 6H-[1]BENZOPYRANO[4,3-b]QUINOLINES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-03-16 WO claimed
US-20060052410-A1 6H-[1]benzopyrano[4,3-b]quinolines and their use as estrogenic agents WYETH (US) 2006-03-09 US 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-7354927-B2 6H-[1]benzopyrano[4,3-b]quinolines and their use as estrogenic agents WYETH (US) 2008-04-08 US disclosed
US-7354927-B2 6H-[1]benzopyrano[4,3-b]quinolines and their use as estrogenic agents WYETH (US) 2008-04-08 US disclosed
US-7354927-B2 6H-[1]benzopyrano[4,3-b]quinolines and their use as estrogenic agents WYETH (US) 2008-04-08 US disclosed
EP-1789420-A2 6H-[1]BENZOPYRANO[4,3-b]QUINOLINES AND THEIR USE AS ESTROGENIC AGENTS Wyeth, A Corporation of the State of Delaware (US) 2007-05-30 EP disclosed
WO-2006029146-A2 6H-[1]BENZOPYRANO[4,3-b]QUINOLINES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-03-16 WO disclosed
US-20060052410-A1 6H-[1]benzopyrano[4,3-b]quinolines and their use as estrogenic agents WYETH (US) 2006-03-09 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-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 ESRRB 10/4885ESRRA 11/4885MAPT 1621/4885
US-20060052410-A1 6H-[1]benzopyrano[4,3-b]quinolines and their use as estrogenic agents CYP19A1, ESR1, ESR2 ESRRB 10/4885ESRRA 8/4885MAPT 3973/4885

“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.