SCHEMBL3922937

SCHEMBL3922937

O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 1.00
ESR1 P03372 15/20 1.00
MAOA P21397 1/20 0.52
UGT1A1 P22309 1/20 0.52
MAOB P27338 1/20 0.52
ALOX5 P09917 1/20 0.48
MMP3 P08254 1/20 0.47
BCL2L1 Q07817 1/20 0.47
CYP26A1 O43174 1/20 0.46

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
SCHEMBL3929813 0.93 ESR2 (1.00) ESR2ESR1MAOAUGT1A1MAOB
SCHEMBL8233865 0.84 ESR2 (0.82) ESR2ESR1MAOAUGT1A1MAOB
SCHEMBL8234840 0.84 ESR2 (0.71) ESR2ESR1MAOAUGT1A1MAOB
SCHEMBL8215899 0.81 ESR2 (0.69) ESR2ESR1MAOAUGT1A1MAOB
SCHEMBL8235581 0.81 ESR2 (0.77) ESR2ESR1MAOAUGT1A1MAOB
SCHEMBL3575957 0.80 FGFR1 (0.70) ESR2ESR1MAOAUGT1A1MAOB
SCHEMBL3928878 0.80 ESR2 (1.00) ESR2ESR1ALOX5MMP3BCL2L1
SCHEMBL25617591 0.79 ESR1 (0.65) ESR2ESR1MMP3BCL2L1
SCHEMBL22127728 0.79 ESR1 (0.65) ESR2ESR1MMP3BCL2L1
SCHEMBL17338680 0.79 ESR1 (0.65) ESR2ESR1MMP3BCL2L1

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 8 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-6903238-B2 Substituted indenones as estrogenic agents WYETH (US) 2005-06-07 US claimed
US-20030166643-A1 Substituted indenones as estrogenic agents WYETH 2003-09-04 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-6903238-B2 Substituted indenones as estrogenic agents WYETH (US) 2005-06-07 US disclosed
US-20030166643-A1 Substituted indenones as estrogenic agents WYETH 2003-09-04 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 ESR2 5/4885ESR1 4/4885MAOA 1145/4885
US-20030166643-A1 Substituted indenones as estrogenic agents GPER1, ESR2, ESR1 ESR2 2/4885ESR1 3/4885MAOA 3952/4885

“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.